2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile

C20H19N5O — CID 24740337

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile
SMILESCOc1cccc(N2CCN(c3nc4ncccc4cc3C#N)CC2)c1
InChIInChI=1S/C20H19N5O/c1-26-18-6-2-5-17(13-18)24-8-10-25(11-9-24)20-16(14-21)12-15-4-3-7-22-19(15)23-20/h2-7,12-13H,8-11H2,1H3
InChIKeyKYMSCWRTNPVJES-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.84
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile

2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile (PubChem CID 24740337) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile
PubChem CID24740337
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile
SMILESCOc1cccc(N2CCN(c3nc4ncccc4cc3C#N)CC2)c1
InChIInChI=1S/C20H19N5O/c1-26-18-6-2-5-17(13-18)24-8-10-25(11-9-24)20-16(14-21)12-15-4-3-7-22-19(15)23-20/h2-7,12-13H,8-11H2,1H3
InChIKeyKYMSCWRTNPVJES-UHFFFAOYSA-N
XLogP2.84
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-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-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile (CID 24740337) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile is COc1cccc(N2CCN(c3nc4ncccc4cc3C#N)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile?
The InChIKey is KYMSCWRTNPVJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-18-6-2-5-17(13-18)24-8-10-25(11-9-24)20-16(14-21)12-15-4-3-7-22-19(15)23-20/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 24740337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).