(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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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).