2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

C24H20N4O — CID 57398367

IUPAC2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCN(C)Cc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1
InChIInChI=1S/C24H20N4O/c1-28(2)15-18-5-3-4-6-19(18)16-7-9-17(10-8-16)23-20(13-25)24(29)21-14-26-12-11-22(21)27-23/h3-12,14H,15H2,1-2H3,(H,27,29)
InChIKeyWJNWPLQILLWLKJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.19
Rot. Bonds4

About 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 57398367) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID57398367
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCN(C)Cc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1
InChIInChI=1S/C24H20N4O/c1-28(2)15-18-5-3-4-6-19(18)16-7-9-17(10-8-16)23-20(13-25)24(29)21-14-26-12-11-22(21)27-23/h3-12,14H,15H2,1-2H3,(H,27,29)
InChIKeyWJNWPLQILLWLKJ-UHFFFAOYSA-N
XLogP4.19
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-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 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (CID 57398367) is 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is CN(C)Cc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1.
What is the InChIKey of 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is WJNWPLQILLWLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-28(2)15-18-5-3-4-6-19(18)16-7-9-17(10-8-16)23-20(13-25)24(29)21-14-26-12-11-22(21)27-23/h3-12,14H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 380.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 57398367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).