2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid

C14H13N3O3 — CID 114931889

IUPAC2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cc(C)nc(NC(=O)c2ncccc2C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c1-8-6-9(2)16-11(7-8)17-13(18)12-10(14(19)20)4-3-5-15-12/h3-7H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyNPVGXBPWNHDELF-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.04
Rot. Bonds3

About 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid

2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 114931889) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID114931889
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cc(C)nc(NC(=O)c2ncccc2C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c1-8-6-9(2)16-11(7-8)17-13(18)12-10(14(19)20)4-3-5-15-12/h3-7H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyNPVGXBPWNHDELF-UHFFFAOYSA-N
XLogP2.04
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-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

Related Compounds

2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154811
N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 13440640
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide
CID 58154640
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 114931712
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
3-hydroxy-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 54861359
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid (CID 114931889) is 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid is Cc1cc(C)nc(NC(=O)c2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is NPVGXBPWNHDELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-6-9(2)16-11(7-8)17-13(18)12-10(14(19)20)4-3-5-15-12/h3-7H,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114931889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).