6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid

C13H11N3O3 — CID 106936576

IUPAC6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C(=O)c1cccc(C(=O)O)n1)c1ccncc1
InChIInChI=1S/C13H11N3O3/c1-16(9-5-7-14-8-6-9)12(17)10-3-2-4-11(15-10)13(18)19/h2-8H,1H3,(H,18,19)
InChIKeyQIXWUHZPFDNNGC-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.45
Rot. Bonds3

About 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid

6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 106936576) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID106936576
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C(=O)c1cccc(C(=O)O)n1)c1ccncc1
InChIInChI=1S/C13H11N3O3/c1-16(9-5-7-14-8-6-9)12(17)10-3-2-4-11(15-10)13(18)19/h2-8H,1H3,(H,18,19)
InChIKeyQIXWUHZPFDNNGC-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

Analyze 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid (CID 106936576) is 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid is CN(C(=O)c1cccc(C(=O)O)n1)c1ccncc1.
What is the InChIKey of 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is QIXWUHZPFDNNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-16(9-5-7-14-8-6-9)12(17)10-3-2-4-11(15-10)13(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid?
6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-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 6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106936576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).