2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile

C25H29N5O2 — CID 10365462

IUPAC2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile
SMILESCc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCCC2=O)CC1
InChIInChI=1S/C25H29N5O2/c1-19-21(9-5-11-27-19)23(18-26)28-13-15-29(16-14-28)25(32)17-22(20-7-3-2-4-8-20)30-12-6-10-24(30)31/h2-5,7-9,11,22-23H,6,10,12-17H2,1H3
InChIKeyDJFOZVOJJFSISR-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.85
Rot. Bonds6

About 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile

2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile (PubChem CID 10365462) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile
PubChem CID10365462
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile
SMILESCc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCCC2=O)CC1
InChIInChI=1S/C25H29N5O2/c1-19-21(9-5-11-27-19)23(18-26)28-13-15-29(16-14-28)25(32)17-22(20-7-3-2-4-8-20)30-12-6-10-24(30)31/h2-5,7-9,11,22-23H,6,10,12-17H2,1H3
InChIKeyDJFOZVOJJFSISR-UHFFFAOYSA-N
XLogP2.85
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile (CID 10365462) is 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile is Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCCC2=O)CC1.
What is the InChIKey of 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile?
The InChIKey is DJFOZVOJJFSISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-19-21(9-5-11-27-19)23(18-26)28-13-15-29(16-14-28)25(32)17-22(20-7-3-2-4-8-20)30-12-6-10-24(30)31/h2-5,7-9,11,22-23H,6,10,12-17H2,1H3.
What are the key properties of 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile?
2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile has a molecular weight of 431.54 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile is sourced from PubChem (CID 10365462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).