3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid

C14H12N2O5 — CID 81440136

IUPAC3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1ccncc1O
InChIInChI=1S/C14H12N2O5/c1-21-12-3-2-8(14(19)20)6-10(12)16-13(18)9-4-5-15-7-11(9)17/h2-7,17H,1H3,(H,16,18)(H,19,20)
InChIKeyVMJLGVQKOGSYBF-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.75
Rot. Bonds4

About 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid

3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid (PubChem CID 81440136) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
PubChem CID81440136
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1ccncc1O
InChIInChI=1S/C14H12N2O5/c1-21-12-3-2-8(14(19)20)6-10(12)16-13(18)9-4-5-15-7-11(9)17/h2-7,17H,1H3,(H,16,18)(H,19,20)
InChIKeyVMJLGVQKOGSYBF-UHFFFAOYSA-N
XLogP1.75
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 81442907
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445608
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 80717929
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid (CID 81440136) is 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC(=O)c1ccncc1O.
What is the InChIKey of 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid?
The InChIKey is VMJLGVQKOGSYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-21-12-3-2-8(14(19)20)6-10(12)16-13(18)9-4-5-15-7-11(9)17/h2-7,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid?
3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid has a molecular weight of 288.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 81440136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).