6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

C15H13ClN2O3 — CID 43453126

IUPAC6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C15H13ClN2O3/c1-8-7-10(16)3-5-12(8)18-14(19)13-6-4-11(15(20)21)9(2)17-13/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyCJDPVTAJNLTDCX-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.30
Rot. Bonds3

About 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 43453126) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID43453126
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C15H13ClN2O3/c1-8-7-10(16)3-5-12(8)18-14(19)13-6-4-11(15(20)21)9(2)17-13/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyCJDPVTAJNLTDCX-UHFFFAOYSA-N
XLogP3.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453082
6-[(2-bromo-5-chlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 81280144
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 104780403
6-[(3-bromo-4-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 63334423
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453081
6-[(4-bromo-3-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453090
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide
CID 91064631
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 43453126) is 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is CJDPVTAJNLTDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-8-7-10(16)3-5-12(8)18-14(19)13-6-4-11(15(20)21)9(2)17-13/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 43453126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).