2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile

C24H28N6O2 — CID 71252040

IUPAC2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3C#N)CC2)c(C)c1
InChIInChI=1S/C24H28N6O2/c1-4-18-13-17(2)22(26-16-18)28-8-10-29(11-9-28)23(31)21-6-5-20(14-19(21)15-25)30-12-7-27(3)24(30)32/h5-6,13-14,16H,4,7-12H2,1-3H3
InChIKeyJKBSONIGTAJTFJ-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile

2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile (PubChem CID 71252040) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
PubChem CID71252040
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3C#N)CC2)c(C)c1
InChIInChI=1S/C24H28N6O2/c1-4-18-13-17(2)22(26-16-18)28-8-10-29(11-9-28)23(31)21-6-5-20(14-19(21)15-25)30-12-7-27(3)24(30)32/h5-6,13-14,16H,4,7-12H2,1-3H3
InChIKeyJKBSONIGTAJTFJ-UHFFFAOYSA-N
XLogP2.66
TPSA83.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile with MolForge

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Related Compounds

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one
CID 71252506
1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252131
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 58484633
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(pyrrolidine-1-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 71252388
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 71252746
1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione
CID 71252832
6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
CID 143982857
(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370594
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylimidazolidine-2,4-dione
CID 71252985
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methylimidazol-2-one
CID 123628585
CID 149337863
CID 149337863

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile?
The IUPAC name of 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile (CID 71252040) is 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile.
What is the SMILES notation for 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile?
The canonical SMILES for 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile is CCc1cnc(N2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3C#N)CC2)c(C)c1.
What is the InChIKey of 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile?
The InChIKey is JKBSONIGTAJTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-4-18-13-17(2)22(26-16-18)28-8-10-29(11-9-28)23(31)21-6-5-20(14-19(21)15-25)30-12-7-27(3)24(30)32/h5-6,13-14,16H,4,7-12H2,1-3H3.
What are the key properties of 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile?
2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile has a molecular weight of 432.53 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile is sourced from PubChem (CID 71252040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).