4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid

C15H14N2O3 — CID 63651310

IUPAC4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(C)cc(C(=O)Nc2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-9-5-10(2)7-11(6-9)14(18)17-12-3-4-16-13(8-12)15(19)20/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyDTYRRVJGSQAEJA-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds3

About 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid

4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 63651310) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID63651310
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(C)cc(C(=O)Nc2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-9-5-10(2)7-11(6-9)14(18)17-12-3-4-16-13(8-12)15(19)20/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyDTYRRVJGSQAEJA-UHFFFAOYSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
CID 63651857
4-[(6-methoxypyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650775
4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 114030963
4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651193
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
CID 63651069
4-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63750401
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201582

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid (CID 63651310) is 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid is Cc1cc(C)cc(C(=O)Nc2ccnc(C(=O)O)c2)c1.
What is the InChIKey of 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is DTYRRVJGSQAEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-5-10(2)7-11(6-9)14(18)17-12-3-4-16-13(8-12)15(19)20/h3-8H,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid?
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63651310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).