5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide

C20H16ClF2N3O — CID 109237881

IUPAC5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cncc(NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClF2N3O/c21-15-3-1-13(2-4-15)7-8-25-17-9-14(11-24-12-17)20(27)26-16-5-6-18(22)19(23)10-16/h1-6,9-12,25H,7-8H2,(H,26,27)
InChIKeyFYKZIMXFKWLBQI-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.92
Rot. Bonds6

About 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide

5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide (PubChem CID 109237881) has the molecular formula C20H16ClF2N3O and a molecular weight of 387.82 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide
PubChem CID109237881
Molecular FormulaC20H16ClF2N3O
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cncc(NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClF2N3O/c21-15-3-1-13(2-4-15)7-8-25-17-9-14(11-24-12-17)20(27)26-16-5-6-18(22)19(23)10-16/h1-6,9-12,25H,7-8H2,(H,26,27)
InChIKeyFYKZIMXFKWLBQI-UHFFFAOYSA-N
XLogP4.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)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

5-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237845
N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 109237870
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236816
N-(3-fluorophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235989
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235964
N-[2-(4-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237784
5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232774

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide (CID 109237881) is 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cncc(NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is FYKZIMXFKWLBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O/c21-15-3-1-13(2-4-15)7-8-25-17-9-14(11-24-12-17)20(27)26-16-5-6-18(22)19(23)10-16/h1-6,9-12,25H,7-8H2,(H,26,27).
What are the key properties of 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109237881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).