[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

C23H24N4O — CID 160533261

IUPAC[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1cccc(C2CN(c3cccc(C(=O)c4cccnc4C)n3)CCN2)c1
InChIInChI=1S/C23H24N4O/c1-16-6-3-7-18(14-16)21-15-27(13-12-25-21)22-10-4-9-20(26-22)23(28)19-8-5-11-24-17(19)2/h3-11,14,21,25H,12-13,15H2,1-2H3
InChIKeyKGOGUEWZOQLEAD-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.48
Rot. Bonds4

About [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 160533261) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
PubChem CID160533261
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1cccc(C2CN(c3cccc(C(=O)c4cccnc4C)n3)CCN2)c1
InChIInChI=1S/C23H24N4O/c1-16-6-3-7-18(14-16)21-15-27(13-12-25-21)22-10-4-9-20(26-22)23(28)19-8-5-11-24-17(19)2/h3-11,14,21,25H,12-13,15H2,1-2H3
InChIKeyKGOGUEWZOQLEAD-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone with MolForge

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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-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 160845215
[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 58207469
(2-amino-3-pyridinyl)-[6-[3-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 159979319
[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
(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995354
(2-amino-3-pyridinyl)-[6-[3-(4-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 161079652
(2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 161332015
(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 158547261
(2-methyl-3-pyridinyl)-[6-[(3S)-3-phenylpiperidin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 158547259

Frequently Asked Questions

What is the IUPAC name of [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (CID 160533261) is [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is Cc1cccc(C2CN(c3cccc(C(=O)c4cccnc4C)n3)CCN2)c1.
What is the InChIKey of [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is KGOGUEWZOQLEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-6-3-7-18(14-16)21-15-27(13-12-25-21)22-10-4-9-20(26-22)23(28)19-8-5-11-24-17(19)2/h3-11,14,21,25H,12-13,15H2,1-2H3.
What are the key properties of [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 160533261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).