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

C20H23N5O — CID 31256288

IUPAC(2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
SMILESCc1cc(C)c(C#N)c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1
InChIInChI=1S/C20H23N5O/c1-14-12-15(2)23-20(17(14)13-21)25-10-8-24(9-11-25)18(19(22)26)16-6-4-3-5-7-16/h3-7,12,18H,8-11H2,1-2H3,(H2,22,26)/t18-/m1/s1
InChIKeyVLZMURUMVMSWSD-GOSISDBHSA-N
MW349.44 g/mol
LogP1.92
Rot. Bonds4

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

(2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 31256288) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID31256288
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
SMILESCc1cc(C)c(C#N)c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1
InChIInChI=1S/C20H23N5O/c1-14-12-15(2)23-20(17(14)13-21)25-10-8-24(9-11-25)18(19(22)26)16-6-4-3-5-7-16/h3-7,12,18H,8-11H2,1-2H3,(H2,22,26)/t18-/m1/s1
InChIKeyVLZMURUMVMSWSD-GOSISDBHSA-N
XLogP1.92
TPSA86.25 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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 62310075
(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 99855050
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 30633436
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide
CID 47055802
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992682
(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide
CID 31256282
4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 60658707
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 154883013
2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72868172

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide (CID 31256288) is (2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide is Cc1cc(C)c(C#N)c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1.
What is the InChIKey of (2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is VLZMURUMVMSWSD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-12-15(2)23-20(17(14)13-21)25-10-8-24(9-11-25)18(19(22)26)16-6-4-3-5-7-16/h3-7,12,18H,8-11H2,1-2H3,(H2,22,26)/t18-/m1/s1.
What are the key properties of (2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide?
(2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 349.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 31256288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).