07U

2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine

Created:	2011-10-06
Last modified:	2011-10-06

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1 entries where 07U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	17

2D diagram of 07U

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Chemical Component Summary
Name	2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
Systematic Name (OpenEye OEToolkits)	2-methyl-N1-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine
Formula	C₁₇ H₁₉ N₅
Molecular Weight	293.366
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2cc1cc(nc(c1cc2)NCC(N)(C)C)c3ccncc3
SMILES	CACTVS	3.370	CC(C)(N)CNc1nc(cc2cnccc12)c3ccncc3
SMILES	OpenEye OEToolkits	1.7.2	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N
Canonical SMILES	CACTVS	3.370	CC(C)(N)CNc1nc(cc2cnccc12)c3ccncc3
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N
InChI	InChI	1.03	InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)
InChIKey	InChI	1.03	WNDOFCPEDZYDPL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2147538
PubChem	24996161
ChEMBL	CHEMBL2147538

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