4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid

C14H12N2O4 — CID 81445783

IUPAC4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2ccncc2O)ccc1C(=O)O
InChIInChI=1S/C14H12N2O4/c1-8-6-9(2-3-10(8)14(19)20)16-13(18)11-4-5-15-7-12(11)17/h2-7,17H,1H3,(H,16,18)(H,19,20)
InChIKeyGNVBIELDOVDDQJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.05
Rot. Bonds3

About 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid

4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 81445783) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
PubChem CID81445783
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2ccncc2O)ccc1C(=O)O
InChIInChI=1S/C14H12N2O4/c1-8-6-9(2-3-10(8)14(19)20)16-13(18)11-4-5-15-7-12(11)17/h2-7,17H,1H3,(H,16,18)(H,19,20)
InChIKeyGNVBIELDOVDDQJ-UHFFFAOYSA-N
XLogP2.05
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445446
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
N-(3,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442995
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81439837
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid
CID 81445870
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
N-(2-amino-4,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446459
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
N-(4-bromo-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 80717929
N-(3-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443324

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid (CID 81445783) is 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid is Cc1cc(NC(=O)c2ccncc2O)ccc1C(=O)O.
What is the InChIKey of 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is GNVBIELDOVDDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-6-9(2-3-10(8)14(19)20)16-13(18)11-4-5-15-7-12(11)17/h2-7,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid?
4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 81445783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).