N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide

C20H17ClFN3O — CID 109233093

IUPACN-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C20H17ClFN3O/c1-25(13-14-5-3-2-4-6-14)20(26)15-9-17(12-23-11-15)24-16-7-8-19(22)18(21)10-16/h2-12,24H,13H2,1H3
InChIKeyFBNANADETPXCGS-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.89
Rot. Bonds5

About N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide

N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109233093) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
PubChem CID109233093
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C20H17ClFN3O/c1-25(13-14-5-3-2-4-6-14)20(26)15-9-17(12-23-11-15)24-16-7-8-19(22)18(21)10-16/h2-12,24H,13H2,1H3
InChIKeyFBNANADETPXCGS-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide 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

N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233085
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109233098
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105473
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109242960
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide
CID 109223675
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide (CID 109233093) is N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is FBNANADETPXCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-25(13-14-5-3-2-4-6-14)20(26)15-9-17(12-23-11-15)24-16-7-8-19(22)18(21)10-16/h2-12,24H,13H2,1H3.
What are the key properties of N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide?
N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109233093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).