6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide

C18H22ClN3O — CID 109151889

IUPAC6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H22ClN3O/c1-13(2)11-22-18(23)15-5-8-17(21-12-15)20-10-9-14-3-6-16(19)7-4-14/h3-8,12-13H,9-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFEQNZODBNRGUFZ-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.78
Rot. Bonds7

About 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide

6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 109151889) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID109151889
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H22ClN3O/c1-13(2)11-22-18(23)15-5-8-17(21-12-15)20-10-9-14-3-6-16(19)7-4-14/h3-8,12-13H,9-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFEQNZODBNRGUFZ-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

6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111206
6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157940
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015
N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151833
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157669
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-[2-(1H-indol-3-yl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151886
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151811
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide (CID 109151889) is 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide is CC(C)CNC(=O)c1ccc(NCCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is FEQNZODBNRGUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-13(2)11-22-18(23)15-5-8-17(21-12-15)20-10-9-14-3-6-16(19)7-4-14/h3-8,12-13H,9-11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide?
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-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 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109151889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).