4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

C15H14N2O3 — CID 115730175

IUPAC4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(N(C)C(=O)c2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-3-5-12(6-4-10)17(2)14(18)11-7-8-16-13(9-11)15(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyWTQJVKABKHLFFP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.36
Rot. Bonds3

About 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730175) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730175
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(N(C)C(=O)c2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-3-5-12(6-4-10)17(2)14(18)11-7-8-16-13(9-11)15(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyWTQJVKABKHLFFP-UHFFFAOYSA-N
XLogP2.36
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(3-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730189
2-N-methyl-4-N-(4-methylphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091261
N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3742330
4-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113352920
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 115116983
N-methyl-2-(4-methylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084332
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
4-N-methyl-4-N-phenyl-2-N-propylpyridine-2,4-dicarboxamide
CID 109077905
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
4-[[2-(aminomethyl)pyridine-4-carbonyl]-methylamino]benzoic acid
CID 104698663
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 115730175) is 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(N(C)C(=O)c2ccnc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WTQJVKABKHLFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-3-5-12(6-4-10)17(2)14(18)11-7-8-16-13(9-11)15(19)20/h3-9H,1-2H3,(H,19,20).
What are the key properties of 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).