2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile

C24H27N5O3 — CID 10252309

IUPAC2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile
SMILESCc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCOC2=O)CC1
InChIInChI=1S/C24H27N5O3/c1-18-20(8-5-9-26-18)22(17-25)27-10-12-28(13-11-27)23(30)16-21(19-6-3-2-4-7-19)29-14-15-32-24(29)31/h2-9,21-22H,10-16H2,1H3
InChIKeyCETMEQRKGQVKGS-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.68
Rot. Bonds6

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

2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile (PubChem CID 10252309) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile
PubChem CID10252309
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile
SMILESCc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCOC2=O)CC1
InChIInChI=1S/C24H27N5O3/c1-18-20(8-5-9-26-18)22(17-25)27-10-12-28(13-11-27)23(30)16-21(19-6-3-2-4-7-19)29-14-15-32-24(29)31/h2-9,21-22H,10-16H2,1H3
InChIKeyCETMEQRKGQVKGS-UHFFFAOYSA-N
XLogP2.68
TPSA89.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile (CID 10252309) is 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile is Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCOC2=O)CC1.
What is the InChIKey of 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile?
The InChIKey is CETMEQRKGQVKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-18-20(8-5-9-26-18)22(17-25)27-10-12-28(13-11-27)23(30)16-21(19-6-3-2-4-7-19)29-14-15-32-24(29)31/h2-9,21-22H,10-16H2,1H3.
What are the key properties of 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile?
2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile has a molecular weight of 433.51 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-pyridinyl)-2-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile is sourced from PubChem (CID 10252309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).