4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

C15H12N2O5 — CID 53271010

IUPAC4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C15H12N2O5/c1-8-2-3-9(14(19)20)6-12(8)17-13(18)10-4-5-16-7-11(10)15(21)22/h2-7H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyFQHASGAEXNUEQQ-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.04
Rot. Bonds4

About 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 53271010) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID53271010
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C15H12N2O5/c1-8-2-3-9(14(19)20)6-12(8)17-13(18)10-4-5-16-7-11(10)15(21)22/h2-7H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyFQHASGAEXNUEQQ-UHFFFAOYSA-N
XLogP2.04
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270772
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 81228538
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
4-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 136527988
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 107674941
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 53271010) is 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is FQHASGAEXNUEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-8-2-3-9(14(19)20)6-12(8)17-13(18)10-4-5-16-7-11(10)15(21)22/h2-7H,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 300.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53271010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).