2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide

C20H23N5O — CID 133396605

IUPAC2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccccc3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C20H23N5O/c1-15-12-19(18(13-21)16(2)22-15)25-10-8-24(9-11-25)14-20(26)23-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyZMNAZCLQMDEHPH-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.33
Rot. Bonds4

About 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 133396605) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID133396605
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccccc3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C20H23N5O/c1-15-12-19(18(13-21)16(2)22-15)25-10-8-24(9-11-25)14-20(26)23-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyZMNAZCLQMDEHPH-UHFFFAOYSA-N
XLogP2.33
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]propanoic acid
CID 81049314
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide
CID 78896555
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396507
N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
CID 133370977
2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
CID 81060173
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31692602
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
1-(3-cyano-2,6-dimethyl-4-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81060702

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide (CID 133396605) is 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide is Cc1cc(N2CCN(CC(=O)Nc3ccccc3)CC2)c(C#N)c(C)n1.
What is the InChIKey of 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is ZMNAZCLQMDEHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-12-19(18(13-21)16(2)22-15)25-10-8-24(9-11-25)14-20(26)23-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 349.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 133396605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).