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

C18H22ClN3O — CID 109202931

IUPAC4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H22ClN3O/c1-13(2)12-22-18(23)17-11-16(7-9-21-17)20-8-6-14-4-3-5-15(19)10-14/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyUITHRZUINUYQMD-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.78
Rot. Bonds7

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

4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109202931) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109202931
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H22ClN3O/c1-13(2)12-22-18(23)17-11-16(7-9-21-17)20-8-6-14-4-3-5-15(19)10-14/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyUITHRZUINUYQMD-UHFFFAOYSA-N
XLogP3.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509
4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109216384
4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202900
N-[2-(3-chlorophenyl)ethyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210794
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109218513
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109202931) is 4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1cc(NCCc2cccc(Cl)c2)ccn1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is UITHRZUINUYQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-13(2)12-22-18(23)17-11-16(7-9-21-17)20-8-6-14-4-3-5-15(19)10-14/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109202931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).