5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

C14H18N4O — CID 1471734

IUPAC5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1C
InChIInChI=1S/C14H18N4O/c1-10-13(11(2)19)8-12(9-15)14(16-10)18-6-4-17(3)5-7-18/h8H,4-7H2,1-3H3
InChIKeyNXDRPAJWVZJSDN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.22
Rot. Bonds2

About 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 1471734) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID1471734
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1C
InChIInChI=1S/C14H18N4O/c1-10-13(11(2)19)8-12(9-15)14(16-10)18-6-4-17(3)5-7-18/h8H,4-7H2,1-3H3
InChIKeyNXDRPAJWVZJSDN-UHFFFAOYSA-N
XLogP1.22
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)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 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile (CID 1471734) is 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1C.
What is the InChIKey of 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is NXDRPAJWVZJSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-13(11(2)19)8-12(9-15)14(16-10)18-6-4-17(3)5-7-18/h8H,4-7H2,1-3H3.
What are the key properties of 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 1471734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).