5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid

C14H12FN3O3 — CID 63158030

IUPAC5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCC1=CC(=C(C=C1)F)NC(=O)NC2=CN=CC(=C2)C(=O)O
InChIInChI=1S/C14H12FN3O3/c1-8-2-3-11(15)12(4-8)18-14(21)17-10-5-9(13(19)20)6-16-7-10/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyYMLBNEDOTPACOQ-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.40
Rot. Bonds3

About 5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid

5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid (PubChem CID 63158030) has the molecular formula C14H12FN3O3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
PubChem CID63158030
Molecular FormulaC14H12FN3O3
Molecular Weight289.26 g/mol
Exact Mass289.09
IUPAC Name5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCC1=CC(=C(C=C1)F)NC(=O)NC2=CN=CC(=C2)C(=O)O
InChIInChI=1S/C14H12FN3O3/c1-8-2-3-11(15)12(4-8)18-14(21)17-10-5-9(13(19)20)6-16-7-10/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyYMLBNEDOTPACOQ-UHFFFAOYSA-N
XLogP1.40
TPSA91.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity394

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(2-Fluoro-5-methylphenyl)carbamoylamino]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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid (CID 63158030) is 5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid is CC1=CC(=C(C=C1)F)NC(=O)NC2=CN=CC(=C2)C(=O)O.
What is the InChIKey of 5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is YMLBNEDOTPACOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-2-3-11(15)12(4-8)18-14(21)17-10-5-9(13(19)20)6-16-7-10/h2-7H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-Fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63158030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).