2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid

C14H13N3O3 — CID 53223665

IUPAC2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid
SMILESCNC(=O)c1cccc(-c2cnc(N)cc2C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c1-16-13(18)9-4-2-3-8(5-9)11-7-17-12(15)6-10(11)14(19)20/h2-7H,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyIHUOEFLVZQNSFF-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.39
Rot. Bonds3

About 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid

2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid (PubChem CID 53223665) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid
PubChem CID53223665
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid
SMILESCNC(=O)c1cccc(-c2cnc(N)cc2C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c1-16-13(18)9-4-2-3-8(5-9)11-7-17-12(15)6-10(11)14(19)20/h2-7H,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyIHUOEFLVZQNSFF-UHFFFAOYSA-N
XLogP1.39
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid (CID 53223665) is 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid is CNC(=O)c1cccc(-c2cnc(N)cc2C(=O)O)c1.
What is the InChIKey of 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid?
The InChIKey is IHUOEFLVZQNSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-16-13(18)9-4-2-3-8(5-9)11-7-17-12(15)6-10(11)14(19)20/h2-7H,1H3,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid?
2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 53223665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).