2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C20H24N4O — CID 828954

IUPAC2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)c1C#N
InChIInChI=1S/C20H24N4O/c1-16-12-18(15-25-2)19(13-21)20(22-16)24-10-8-23(9-11-24)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14-15H2,1-2H3
InChIKeyFSGFUCJZOPKFFM-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 828954) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID828954
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)c1C#N
InChIInChI=1S/C20H24N4O/c1-16-12-18(15-25-2)19(13-21)20(22-16)24-10-8-23(9-11-24)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14-15H2,1-2H3
InChIKeyFSGFUCJZOPKFFM-UHFFFAOYSA-N
XLogP2.73
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-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 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 828954) is 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)c1C#N.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is FSGFUCJZOPKFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-12-18(15-25-2)19(13-21)20(22-16)24-10-8-23(9-11-24)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14-15H2,1-2H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 828954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).