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

C15H13ClN2O4 — CID 53270694

IUPAC4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C15H13ClN2O4/c1-8-5-12(13(22-2)6-11(8)16)18-14(19)9-3-4-17-7-10(9)15(20)21/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyKJOSTWOTSUERNV-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.00
Rot. Bonds4

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

4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 53270694) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID53270694
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C15H13ClN2O4/c1-8-5-12(13(22-2)6-11(8)16)18-14(19)9-3-4-17-7-10(9)15(20)21/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyKJOSTWOTSUERNV-UHFFFAOYSA-N
XLogP3.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271047
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270772
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43337149
N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 104728161
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 53270694) is 4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is COc1cc(Cl)c(C)cc1NC(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is KJOSTWOTSUERNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-8-5-12(13(22-2)6-11(8)16)18-14(19)9-3-4-17-7-10(9)15(20)21/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 320.73 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53270694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).