2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid

C14H10N2O5 — CID 21231390

IUPAC2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ncccc2C(=O)O)cc1
InChIInChI=1S/C14H10N2O5/c17-12(11-10(14(20)21)2-1-7-15-11)16-9-5-3-8(4-6-9)13(18)19/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyYAVBHPLGBQICOB-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.73
Rot. Bonds4

About 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid

2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 21231390) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID21231390
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ncccc2C(=O)O)cc1
InChIInChI=1S/C14H10N2O5/c17-12(11-10(14(20)21)2-1-7-15-11)16-9-5-3-8(4-6-9)13(18)19/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyYAVBHPLGBQICOB-UHFFFAOYSA-N
XLogP1.73
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
2-[[4-(cyanomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616249
2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615601
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
pyridine-2,3-dicarboxylic acid
CID 1066
3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 17296224
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 6920825

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 21231390) is 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is YAVBHPLGBQICOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-12(11-10(14(20)21)2-1-7-15-11)16-9-5-3-8(4-6-9)13(18)19/h1-7H,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 286.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 21231390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).