6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile

C15H21N5O — CID 71877355

IUPAC6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
SMILESCC1CN(C)CCN1C(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C15H21N5O/c1-12-10-18(2)6-7-20(12)15(21)11-19(3)14-5-4-13(8-16)9-17-14/h4-5,9,12H,6-7,10-11H2,1-3H3
InChIKeyZQPACFUWKBCOJT-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.55
Rot. Bonds3

About 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile

6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile (PubChem CID 71877355) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
PubChem CID71877355
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
SMILESCC1CN(C)CCN1C(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C15H21N5O/c1-12-10-18(2)6-7-20(12)15(21)11-19(3)14-5-4-13(8-16)9-17-14/h4-5,9,12H,6-7,10-11H2,1-3H3
InChIKeyZQPACFUWKBCOJT-UHFFFAOYSA-N
XLogP0.55
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile (CID 71877355) is 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile is CC1CN(C)CCN1C(=O)CN(C)c1ccc(C#N)cn1.
What is the InChIKey of 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile?
The InChIKey is ZQPACFUWKBCOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-10-18(2)6-7-20(12)15(21)11-19(3)14-5-4-13(8-16)9-17-14/h4-5,9,12H,6-7,10-11H2,1-3H3.
What are the key properties of 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile?
6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 71877355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).