W3X

1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide

Created:	2023-09-22
Last modified:	2024-07-03

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1 entries where W3X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of W3X

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Chemical Component Summary
Name	1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	1-[2-(4-hydroxyphenyl)ethyl]-4~{H}-pyridine-3-carboxamide
Formula	C₁₄ H₁₆ N₂ O₂
Molecular Weight	244.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)C=1CC=CN(CCc2ccc(O)cc2)C=1
SMILES	CACTVS	3.385	NC(=O)C1=CN(CCc2ccc(O)cc2)C=CC1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CCN2C=CCC(=C2)C(=O)N)O
Canonical SMILES	CACTVS	3.385	NC(=O)C1=CN(CCc2ccc(O)cc2)C=CC1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CCN2C=CCC(=C2)C(=O)N)O
InChI	InChI	1.06	InChI=1S/C14H16N2O2/c15-14(18)12-2-1-8-16(10-12)9-7-11-3-5-13(17)6-4-11/h1,3-6,8,10,17H,2,7,9H2,(H2,15,18)
InChIKey	InChI	1.06	ACNLRZRWSZGYOV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	171714573

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