[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone

C21H19ClN4O — CID 90324959

IUPAC[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(N2CCNC(c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C21H19ClN4O/c22-17-6-1-4-15(12-17)19-14-26(11-10-24-19)20-8-2-7-18(25-20)21(27)16-5-3-9-23-13-16/h1-9,12-13,19,24H,10-11,14H2
InChIKeyQNWCIXXEASFPRZ-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.51
Rot. Bonds4

About [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone

[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone (PubChem CID 90324959) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
PubChem CID90324959
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(N2CCNC(c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C21H19ClN4O/c22-17-6-1-4-15(12-17)19-14-26(11-10-24-19)20-8-2-7-18(25-20)21(27)16-5-3-9-23-13-16/h1-9,12-13,19,24H,10-11,14H2
InChIKeyQNWCIXXEASFPRZ-UHFFFAOYSA-N
XLogP3.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone 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-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160802202
(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 160845215
pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone
CID 123379335
(2-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24992175
[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 160533261
(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 159979319
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
(2-amino-3-pyridinyl)-[6-[3-(4-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 161079652
[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 58207469
(2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 157450285
[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 159888989
[5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 162085069

Frequently Asked Questions

What is the IUPAC name of [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
The IUPAC name of [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone (CID 90324959) is [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
The canonical SMILES for [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cccc(N2CCNC(c3cccc(Cl)c3)C2)n1.
What is the InChIKey of [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
The InChIKey is QNWCIXXEASFPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-17-6-1-4-15(12-17)19-14-26(11-10-24-19)20-8-2-7-18(25-20)21(27)16-5-3-9-23-13-16/h1-9,12-13,19,24H,10-11,14H2.
What are the key properties of [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone has a molecular weight of 378.86 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 90324959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).