6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

C20H22N6O2 — CID 56700996

IUPAC6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCCCCc1nc(C)cc(NCCn2ccc3[nH]c(=O)c(C#N)cc3c2=O)n1
InChIInChI=1S/C20H22N6O2/c1-3-4-5-17-23-13(2)10-18(25-17)22-7-9-26-8-6-16-15(20(26)28)11-14(12-21)19(27)24-16/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyIJOYAUBHXVCJBC-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.11
Rot. Bonds7

About 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56700996) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56700996
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCCCCc1nc(C)cc(NCCn2ccc3[nH]c(=O)c(C#N)cc3c2=O)n1
InChIInChI=1S/C20H22N6O2/c1-3-4-5-17-23-13(2)10-18(25-17)22-7-9-26-8-6-16-15(20(26)28)11-14(12-21)19(27)24-16/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyIJOYAUBHXVCJBC-UHFFFAOYSA-N
XLogP2.11
TPSA116.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-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 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56700996) is 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is CCCCc1nc(C)cc(NCCn2ccc3[nH]c(=O)c(C#N)cc3c2=O)n1.
What is the InChIKey of 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is IJOYAUBHXVCJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-3-4-5-17-23-13(2)10-18(25-17)22-7-9-26-8-6-16-15(20(26)28)11-14(12-21)19(27)24-16/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,24,27)(H,22,23,25).
What are the key properties of 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 378.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56700996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).