4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile

C28H28N6O — CID 11496376

IUPAC4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C28H28N6O/c29-18-23-19-31-26-20-32-27(30-10-11-34-12-14-35-15-13-34)17-25(26)28(23)33-24-8-6-22(7-9-24)16-21-4-2-1-3-5-21/h1-9,17,19-20H,10-16H2,(H,30,32)(H,31,33)
InChIKeyPXRDIWAVNLQFBI-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.58
Rot. Bonds8

About 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile

4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile (PubChem CID 11496376) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
PubChem CID11496376
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C28H28N6O/c29-18-23-19-31-26-20-32-27(30-10-11-34-12-14-35-15-13-34)17-25(26)28(23)33-24-8-6-22(7-9-24)16-21-4-2-1-3-5-21/h1-9,17,19-20H,10-16H2,(H,30,32)(H,31,33)
InChIKeyPXRDIWAVNLQFBI-UHFFFAOYSA-N
XLogP4.58
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-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-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile (CID 11496376) is 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile is N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
The InChIKey is PXRDIWAVNLQFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c29-18-23-19-31-26-20-32-27(30-10-11-34-12-14-35-15-13-34)17-25(26)28(23)33-24-8-6-22(7-9-24)16-21-4-2-1-3-5-21/h1-9,17,19-20H,10-16H2,(H,30,32)(H,31,33).
What are the key properties of 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile has a molecular weight of 464.57 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 11496376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).