2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile

C25H19N3O — CID 15191501

IUPAC2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile
SMILESCCOc1nc2nc(/C=C/c3ccccc3)ccc2c(-c2ccccc2)c1C#N
InChIInChI=1S/C25H19N3O/c1-2-29-25-22(17-26)23(19-11-7-4-8-12-19)21-16-15-20(27-24(21)28-25)14-13-18-9-5-3-6-10-18/h3-16H,2H2,1H3/b14-13+
InChIKeyAUDQVGHCMANWOX-BUHFOSPRSA-N
MW377.45 g/mol
LogP5.74
Rot. Bonds5

About 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile

2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile (PubChem CID 15191501) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile
PubChem CID15191501
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile
SMILESCCOc1nc2nc(/C=C/c3ccccc3)ccc2c(-c2ccccc2)c1C#N
InChIInChI=1S/C25H19N3O/c1-2-29-25-22(17-26)23(19-11-7-4-8-12-19)21-16-15-20(27-24(21)28-25)14-13-18-9-5-3-6-10-18/h3-16H,2H2,1H3/b14-13+
InChIKeyAUDQVGHCMANWOX-BUHFOSPRSA-N
XLogP5.74
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile
CID 15261533
6-cyano-7-ethoxy-2-methyl-5-phenyl-1,8-naphthyridine-3-carboxamide
CID 15189178
ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate
CID 15189182
3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile
CID 86291562
2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
CID 14936511
2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
CID 10994790
2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988953
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
4-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-7-ethoxy-5-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988952
2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile
CID 2324827
2-amino-6-ethoxy-4-(2-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137301601
2-ethoxy-6-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-4-phenylpyridine-3-carbonitrile
CID 135753503

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile (CID 15191501) is 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile is CCOc1nc2nc(/C=C/c3ccccc3)ccc2c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile?
The InChIKey is AUDQVGHCMANWOX-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H19N3O/c1-2-29-25-22(17-26)23(19-11-7-4-8-12-19)21-16-15-20(27-24(21)28-25)14-13-18-9-5-3-6-10-18/h3-16H,2H2,1H3/b14-13+.
What are the key properties of 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile?
2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 15191501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).