2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid

C14H12N2O4 — CID 90422775

IUPAC2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
SMILESCc1nc(NC(=O)Oc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C14H12N2O4/c1-9-11(13(17)18)7-8-12(15-9)16-14(19)20-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyBZJFEOLPILLOMB-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid

2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid (PubChem CID 90422775) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
PubChem CID90422775
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
SMILESCc1nc(NC(=O)Oc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C14H12N2O4/c1-9-11(13(17)18)7-8-12(15-9)16-14(19)20-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyBZJFEOLPILLOMB-UHFFFAOYSA-N
XLogP2.70
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(phenoxycarbonylamino)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

6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate
CID 167580490
4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate
CID 19357047
5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 63617001
phenyl N-(6-methoxypyrazin-2-yl)carbamate
CID 66875760
phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate
CID 174351013
phenyl N-(2,6-dimethylquinolin-3-yl)carbamate
CID 155691129
phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394007
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
phenyl N-(2-ethoxy-5-ethyl-6-methyl-3-pyridinyl)carbamate
CID 18663163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid (CID 90422775) is 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid is Cc1nc(NC(=O)Oc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid?
The InChIKey is BZJFEOLPILLOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-11(13(17)18)7-8-12(15-9)16-14(19)20-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid?
2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 90422775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).