2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid

C14H12FN3O3 — CID 114324590

IUPAC2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid
SMILESNC(=O)c1cc(F)ccc1NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H12FN3O3/c15-9-1-2-12(11(6-9)13(16)19)18-7-10-5-8(14(20)21)3-4-17-10/h1-6,18H,7H2,(H2,16,19)(H,20,21)
InChIKeySTHFWBVLFQJWIR-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.63
Rot. Bonds5

About 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid

2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid (PubChem CID 114324590) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid
PubChem CID114324590
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid
SMILESNC(=O)c1cc(F)ccc1NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H12FN3O3/c15-9-1-2-12(11(6-9)13(16)19)18-7-10-5-8(14(20)21)3-4-17-10/h1-6,18H,7H2,(H2,16,19)(H,20,21)
InChIKeySTHFWBVLFQJWIR-UHFFFAOYSA-N
XLogP1.63
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-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-[(5-bromo-2-carbamoylanilino)methyl]pyridine-4-carboxylic acid
CID 114901152
2-[(3-bromo-4-cyano-2-fluoroanilino)methyl]pyridine-4-carboxylic acid
CID 107532911
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid
CID 114324429
2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
CID 63673130
4-(2-carbamoyl-4-fluoroanilino)-2,2-dimethylbutanoic acid
CID 114285529
2-[(4-bromo-2-nitroanilino)methyl]pyridine-4-carboxylic acid
CID 114324427
2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
CID 114324375
2-(3-aminopropylamino)-5-fluorobenzamide
CID 63674481
2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid
CID 114324570
2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324451
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid (CID 114324590) is 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid is NC(=O)c1cc(F)ccc1NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid?
The InChIKey is STHFWBVLFQJWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-9-1-2-12(11(6-9)13(16)19)18-7-10-5-8(14(20)21)3-4-17-10/h1-6,18H,7H2,(H2,16,19)(H,20,21).
What are the key properties of 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid?
2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid has a molecular weight of 289.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).