4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C15H16N4O — CID 138518038

IUPAC4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCCCCC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C15H16N4O/c16-9-12-14(19-7-3-1-2-4-8-19)11-5-6-17-10-13(11)18-15(12)20/h5-6,10H,1-4,7-8H2,(H,18,20)
InChIKeyMAEYAELQWXEJOB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.18
Rot. Bonds1

About 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518038) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518038
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCCCCC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C15H16N4O/c16-9-12-14(19-7-3-1-2-4-8-19)11-5-6-17-10-13(11)18-15(12)20/h5-6,10H,1-4,7-8H2,(H,18,20)
InChIKeyMAEYAELQWXEJOB-UHFFFAOYSA-N
XLogP2.18
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(azepan-1-yl)-2-oxo-1H-1,7-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 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518038) is 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is N#Cc1c(N2CCCCCC2)c2ccncc2[nH]c1=O.
What is the InChIKey of 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is MAEYAELQWXEJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-9-12-14(19-7-3-1-2-4-8-19)11-5-6-17-10-13(11)18-15(12)20/h5-6,10H,1-4,7-8H2,(H,18,20).
What are the key properties of 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).