N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide

C16H17ClFN3O — CID 109224461

IUPACN-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H17ClFN3O/c1-2-3-6-20-16(22)11-7-13(10-19-9-11)21-12-4-5-15(18)14(17)8-12/h4-5,7-10,21H,2-3,6H2,1H3,(H,20,22)
InChIKeyUYVNJSMBENQSAS-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.15
Rot. Bonds6

About N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide

N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109224461) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
PubChem CID109224461
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC NameN-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H17ClFN3O/c1-2-3-6-20-16(22)11-7-13(10-19-9-11)21-12-4-5-15(18)14(17)8-12/h4-5,7-10,21H,2-3,6H2,1H3,(H,20,22)
InChIKeyUYVNJSMBENQSAS-UHFFFAOYSA-N
XLogP4.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-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-butyl-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109248164
N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
CID 109224520
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
CID 109240111
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
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide
CID 109222936
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide (CID 109224461) is N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide is CCCCNC(=O)c1cncc(Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is UYVNJSMBENQSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c1-2-3-6-20-16(22)11-7-13(10-19-9-11)21-12-4-5-15(18)14(17)8-12/h4-5,7-10,21H,2-3,6H2,1H3,(H,20,22).
What are the key properties of N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide?
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 321.78 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109224461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).