6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile

C20H22N4O — CID 143982857

IUPAC6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3ncc(C#N)cc3C)CC2)c(C)c1
InChIInChI=1S/C20H22N4O/c1-14-4-5-18(15(2)10-14)20(25)24-8-6-23(7-9-24)19-16(3)11-17(12-21)13-22-19/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyBSVKKCQZASGPOM-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.84
Rot. Bonds2

About 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile

6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile (PubChem CID 143982857) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
PubChem CID143982857
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3ncc(C#N)cc3C)CC2)c(C)c1
InChIInChI=1S/C20H22N4O/c1-14-4-5-18(15(2)10-14)20(25)24-8-6-23(7-9-24)19-16(3)11-17(12-21)13-22-19/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyBSVKKCQZASGPOM-UHFFFAOYSA-N
XLogP2.84
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
(2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70702764
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
4-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27329948
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(2,4-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699055
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 75470049
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-hydroxy-3,5-dimethylimidazol-2-one
CID 123782642

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile (CID 143982857) is 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile is Cc1ccc(C(=O)N2CCN(c3ncc(C#N)cc3C)CC2)c(C)c1.
What is the InChIKey of 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile?
The InChIKey is BSVKKCQZASGPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-4-5-18(15(2)10-14)20(25)24-8-6-23(7-9-24)19-16(3)11-17(12-21)13-22-19/h4-5,10-11,13H,6-9H2,1-3H3.
What are the key properties of 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile?
6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 143982857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).