2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid

C13H11N3O3 — CID 63616222

IUPAC2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(C(=O)c1ncccc1C(=O)O)c1ccccn1
InChIInChI=1S/C13H11N3O3/c1-16(10-6-2-3-7-14-10)12(17)11-9(13(18)19)5-4-8-15-11/h2-8H,1H3,(H,18,19)
InChIKeyQHJXASGAZKQCEV-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.45
Rot. Bonds3

About 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid

2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63616222) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63616222
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(C(=O)c1ncccc1C(=O)O)c1ccccn1
InChIInChI=1S/C13H11N3O3/c1-16(10-6-2-3-7-14-10)12(17)11-9(13(18)19)5-4-8-15-11/h2-8H,1H3,(H,18,19)
InChIKeyQHJXASGAZKQCEV-UHFFFAOYSA-N
XLogP1.45
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
pyridine-2,3-dicarboxylic acid
CID 1066
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
N-methyl-4-phenyl-N-pyridin-2-ylbenzamide
CID 51051172
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
N-methyl-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 64983096
2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
CID 63614113

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid (CID 63616222) is 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid is CN(C(=O)c1ncccc1C(=O)O)c1ccccn1.
What is the InChIKey of 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is QHJXASGAZKQCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-16(10-6-2-3-7-14-10)12(17)11-9(13(18)19)5-4-8-15-11/h2-8H,1H3,(H,18,19).
What are the key properties of 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid?
2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63616222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).