6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

C14H12N2O3 — CID 43427214

IUPAC6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C14H12N2O3/c1-9-2-5-11(6-3-9)16-13(17)12-7-4-10(8-15-12)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyWKWRZYPVEKKFRH-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.34
Rot. Bonds3

About 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43427214) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID43427214
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C14H12N2O3/c1-9-2-5-11(6-3-9)16-13(17)12-7-4-10(8-15-12)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyWKWRZYPVEKKFRH-UHFFFAOYSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
CID 123868777
6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107577282
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
6-[[4-(2-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 61236807
6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 115116603
5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 24881805
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
6-[(3,4-diacetyloxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19877112
2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
CID 4071461
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 43427214) is 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is Cc1ccc(NC(=O)c2ccc(C(=O)O)cn2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is WKWRZYPVEKKFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-2-5-11(6-3-9)16-13(17)12-7-4-10(8-15-12)14(18)19/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43427214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).