2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid

C13H11N3O3 — CID 19154811

IUPAC2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cccc(NC(=O)c2ncccc2C(=O)O)n1
InChIInChI=1S/C13H11N3O3/c1-8-4-2-6-10(15-8)16-12(17)11-9(13(18)19)5-3-7-14-11/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyWGNAACKLQZKRMO-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.74
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid

2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 19154811) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID19154811
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cccc(NC(=O)c2ncccc2C(=O)O)n1
InChIInChI=1S/C13H11N3O3/c1-8-4-2-6-10(15-8)16-12(17)11-9(13(18)19)5-3-7-14-11/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyWGNAACKLQZKRMO-UHFFFAOYSA-N
XLogP1.74
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114931889
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62171746
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
N-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71460353
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
5-(methylamino)-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 90733062
2-(pyren-1-ylcarbamoyl)pyridine-3-carboxylic acid
CID 134087610

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid (CID 19154811) is 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid is Cc1cccc(NC(=O)c2ncccc2C(=O)O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is WGNAACKLQZKRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-4-2-6-10(15-8)16-12(17)11-9(13(18)19)5-3-7-14-11/h2-7H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 19154811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).