2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C22H33N5 — CID 23960569

IUPAC2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESCN1CCc2c(nc(NC3CCCCC3)c(C#N)c2NC2CCCCC2)C1
InChIInChI=1S/C22H33N5/c1-27-13-12-18-20(15-27)26-22(25-17-10-6-3-7-11-17)19(14-23)21(18)24-16-8-4-2-5-9-16/h16-17H,2-13,15H2,1H3,(H2,24,25,26)
InChIKeyURXRWDIYFMLAKH-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.43
Rot. Bonds4

About 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 23960569) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
PubChem CID23960569
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESCN1CCc2c(nc(NC3CCCCC3)c(C#N)c2NC2CCCCC2)C1
InChIInChI=1S/C22H33N5/c1-27-13-12-18-20(15-27)26-22(25-17-10-6-3-7-11-17)19(14-23)21(18)24-16-8-4-2-5-9-16/h16-17H,2-13,15H2,1H3,(H2,24,25,26)
InChIKeyURXRWDIYFMLAKH-UHFFFAOYSA-N
XLogP4.43
TPSA63.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-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 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 23960569) is 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is CN1CCc2c(nc(NC3CCCCC3)c(C#N)c2NC2CCCCC2)C1.
What is the InChIKey of 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is URXRWDIYFMLAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-27-13-12-18-20(15-27)26-22(25-17-10-6-3-7-11-17)19(14-23)21(18)24-16-8-4-2-5-9-16/h16-17H,2-13,15H2,1H3,(H2,24,25,26).
What are the key properties of 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 367.54 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 23960569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).