6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide

C20H25ClN4O — CID 109151896

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C20H25ClN4O/c1-15(2)13-23-20(26)16-6-7-19(22-14-16)25-10-8-24(9-11-25)18-5-3-4-17(21)12-18/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,23,26)
InChIKeyDNCNBFJJRAFYNI-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.45
Rot. Bonds5

About 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 109151896) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID109151896
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C20H25ClN4O/c1-15(2)13-23-20(26)16-6-7-19(22-14-16)25-10-8-24(9-11-25)18-5-3-4-17(21)12-18/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,23,26)
InChIKeyDNCNBFJJRAFYNI-UHFFFAOYSA-N
XLogP3.45
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)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

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151899
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 24989747
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275706
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide (CID 109151896) is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide is CC(C)CNC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is DNCNBFJJRAFYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-15(2)13-23-20(26)16-6-7-19(22-14-16)25-10-8-24(9-11-25)18-5-3-4-17(21)12-18/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,23,26).
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109151896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).