3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide

C10H12N2O4 — CID 138538614

IUPAC3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC(C)C=O)c1O
InChIInChI=1S/C10H12N2O4/c1-6(5-13)12-10(15)8-9(14)7(16-2)3-4-11-8/h3-6,14H,1-2H3,(H,12,15)
InChIKeyGIOGMCSHQBHNOW-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.11
Rot. Bonds4

About 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide (PubChem CID 138538614) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide
PubChem CID138538614
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC(C)C=O)c1O
InChIInChI=1S/C10H12N2O4/c1-6(5-13)12-10(15)8-9(14)7(16-2)3-4-11-8/h3-6,14H,1-2H3,(H,12,15)
InChIKeyGIOGMCSHQBHNOW-UHFFFAOYSA-N
XLogP0.11
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 142046009
[(1S)-1-(9H-fluoren-9-yl)ethyl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 137426443
[(2S)-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121466267
[(2S)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 146589882
[(2S)-4-methylpent-4-en-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 145115451
N-[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759133
N-cyclobutyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088893
[(2R,3R)-3-(4-fluorophenyl)butan-2-yl] (2R)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 139472781
[4-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]butan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462969
N-[(1S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759033

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide (CID 138538614) is 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide is COc1ccnc(C(=O)NC(C)C=O)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide?
The InChIKey is GIOGMCSHQBHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6(5-13)12-10(15)8-9(14)7(16-2)3-4-11-8/h3-6,14H,1-2H3,(H,12,15).
What are the key properties of 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide has a molecular weight of 224.22 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(1-oxopropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 138538614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).