3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

C16H18N2O3 — CID 142046009

IUPAC3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC(C)c2ccc(C)cc2)c1O
InChIInChI=1S/C16H18N2O3/c1-10-4-6-12(7-5-10)11(2)18-16(20)14-15(19)13(21-3)8-9-17-14/h4-9,11,19H,1-3H3,(H,18,20)
InChIKeyKAURFGQZOSSDLU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.60
Rot. Bonds4

About 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 142046009) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID142046009
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC(C)c2ccc(C)cc2)c1O
InChIInChI=1S/C16H18N2O3/c1-10-4-6-12(7-5-10)11(2)18-16(20)14-15(19)13(21-3)8-9-17-14/h4-9,11,19H,1-3H3,(H,18,20)
InChIKeyKAURFGQZOSSDLU-UHFFFAOYSA-N
XLogP2.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide
CID 138538614
[(1R,2S)-1-(4-methylphenyl)-1-phenoxypropan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121457535
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759133
[bis(3,5-dimethylphenyl)methyl-methylamino] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 142606556
[(2R,3R)-3-(4-fluorophenyl)butan-2-yl] (2R)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 139472781
N-[(1S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759033
N-[(2S)-1-[[(2S)-1,1-bis(3,4-dimethoxyphenyl)propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162758662
[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl] 3,3,3-trifluoro-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121463840
[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]butanoate
CID 121463633

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (CID 142046009) is 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide is COc1ccnc(C(=O)NC(C)c2ccc(C)cc2)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is KAURFGQZOSSDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-4-6-12(7-5-10)11(2)18-16(20)14-15(19)13(21-3)8-9-17-14/h4-9,11,19H,1-3H3,(H,18,20).
What are the key properties of 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 142046009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).