6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile

C19H20N4O — CID 162637403

IUPAC6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(C)c1C#N
InChIInChI=1S/C19H20N4O/c1-14-12-18(21-15(2)17(14)13-20)22-8-10-23(11-9-22)19(24)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3
InChIKeyHPEOMWGSLFPCLU-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.53
Rot. Bonds2

About 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile

6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 162637403) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
PubChem CID162637403
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(C)c1C#N
InChIInChI=1S/C19H20N4O/c1-14-12-18(21-15(2)17(14)13-20)22-8-10-23(11-9-22)19(24)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3
InChIKeyHPEOMWGSLFPCLU-UHFFFAOYSA-N
XLogP2.53
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 163318701
6-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile
CID 164698975
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 108731152
[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 53202521
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
3-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122332318
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108765052
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile (CID 162637403) is 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(C)c1C#N.
What is the InChIKey of 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is HPEOMWGSLFPCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-12-18(21-15(2)17(14)13-20)22-8-10-23(11-9-22)19(24)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile?
6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 162637403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).