2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide

C20H17ClFN3O — CID 109175993

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClFN3O/c21-16-3-1-2-14(12-16)8-10-23-19-13-15(9-11-24-19)20(26)25-18-6-4-17(22)5-7-18/h1-7,9,11-13H,8,10H2,(H,23,24)(H,25,26)
InChIKeyARBBAITZXPCOAF-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.78
Rot. Bonds6

About 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide (PubChem CID 109175993) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
PubChem CID109175993
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClFN3O/c21-16-3-1-2-14(12-16)8-10-23-19-13-15(9-11-24-19)20(26)25-18-6-4-17(22)5-7-18/h1-7,9,11-13H,8,10H2,(H,23,24)(H,25,26)
InChIKeyARBBAITZXPCOAF-UHFFFAOYSA-N
XLogP4.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172686
2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 109176002
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109173853
N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172961
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109175999
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559
N-(4-ethoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172946
N-(3,4-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170705

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide (CID 109175993) is 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1ccnc(NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is ARBBAITZXPCOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-16-3-1-2-14(12-16)8-10-23-19-13-15(9-11-24-19)20(26)25-18-6-4-17(22)5-7-18/h1-7,9,11-13H,8,10H2,(H,23,24)(H,25,26).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109175993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).