6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile

C26H24N4O2 — CID 15366597

IUPAC6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile
SMILESCOc1ccc(/N=C2\CC(c3ccccc3)C(C#N)=C(N)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N4O2/c1-31-21-12-8-19(9-13-21)29-25-16-23(18-6-4-3-5-7-18)24(17-27)26(28)30(25)20-10-14-22(32-2)15-11-20/h3-15,23H,16,28H2,1-2H3/b29-25+
InChIKeyVPCVIXKGHSDWFA-XLVZBRSZSA-N
MW424.50 g/mol
LogP5.12
Rot. Bonds5

About 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile

6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile (PubChem CID 15366597) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile
PubChem CID15366597
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile
SMILESCOc1ccc(/N=C2\CC(c3ccccc3)C(C#N)=C(N)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N4O2/c1-31-21-12-8-19(9-13-21)29-25-16-23(18-6-4-3-5-7-18)24(17-27)26(28)30(25)20-10-14-22(32-2)15-11-20/h3-15,23H,16,28H2,1-2H3/b29-25+
InChIKeyVPCVIXKGHSDWFA-XLVZBRSZSA-N
XLogP5.12
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 164624389
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine
CID 126702634
1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine
CID 126702630
methyl (2E,3R,4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethylidene)-4-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyridine-3-carboxylate
CID 70676562
1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366590
(4S)-2-amino-4-(2-chlorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 2222121
dimethyl 6-amino-5-cyano-1-[4-(3-methoxyphenoxy)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641735
(4S)-4-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 7115267
(4S)-4-(4-methoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 915496
diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
CID 137332333
(4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1041356
(7S)-5-amino-7-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,1-dioxo-3,7-dihydro-2H-thieno[3,2-b]pyridine-6-carbonitrile
CID 7304929

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile?
The IUPAC name of 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile (CID 15366597) is 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile?
The canonical SMILES for 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile is COc1ccc(/N=C2\CC(c3ccccc3)C(C#N)=C(N)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile?
The InChIKey is VPCVIXKGHSDWFA-XLVZBRSZSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-31-21-12-8-19(9-13-21)29-25-16-23(18-6-4-3-5-7-18)24(17-27)26(28)30(25)20-10-14-22(32-2)15-11-20/h3-15,23H,16,28H2,1-2H3/b29-25+.
What are the key properties of 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile?
6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile has a molecular weight of 424.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 15366597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).