3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide

C13H10ClF2N3O — CID 168887465

IUPAC3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1nc(Cl)cc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C13H10ClF2N3O/c1-18-13(20)12-11(17)8(5-10(14)19-12)7-3-2-6(15)4-9(7)16/h2-5H,17H2,1H3,(H,18,20)
InChIKeyDVNOHNILFPGBGJ-UHFFFAOYSA-N
MW297.69 g/mol
LogP2.62
Rot. Bonds2

About 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide

3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 168887465) has the molecular formula C13H10ClF2N3O and a molecular weight of 297.69 g/mol. Its IUPAC name is 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
PubChem CID168887465
Molecular FormulaC13H10ClF2N3O
Molecular Weight297.69 g/mol
Exact Mass297.05
IUPAC Name3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1nc(Cl)cc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C13H10ClF2N3O/c1-18-13(20)12-11(17)8(5-10(14)19-12)7-3-2-6(15)4-9(7)16/h2-5H,17H2,1H3,(H,18,20)
InChIKeyDVNOHNILFPGBGJ-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide 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 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide (CID 168887465) is 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide is CNC(=O)c1nc(Cl)cc(-c2ccc(F)cc2F)c1N.
What is the InChIKey of 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is DVNOHNILFPGBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3O/c1-18-13(20)12-11(17)8(5-10(14)19-12)7-3-2-6(15)4-9(7)16/h2-5H,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide?
3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 297.69 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-4-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 168887465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).