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

C19H17N3O — CID 3275641

IUPAC2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile
SMILESCOc1ccc(C2=CC(c3ccccc3)C(C#N)C(N)=N2)cc1
InChIInChI=1S/C19H17N3O/c1-23-15-9-7-14(8-10-15)18-11-16(13-5-3-2-4-6-13)17(12-20)19(21)22-18/h2-11,16-17H,1H3,(H2,21,22)
InChIKeyUIEZZNHJFNGUSI-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.33
Rot. Bonds3

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

2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile (PubChem CID 3275641) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile
PubChem CID3275641
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile
SMILESCOc1ccc(C2=CC(c3ccccc3)C(C#N)C(N)=N2)cc1
InChIInChI=1S/C19H17N3O/c1-23-15-9-7-14(8-10-15)18-11-16(13-5-3-2-4-6-13)17(12-20)19(21)22-18/h2-11,16-17H,1H3,(H2,21,22)
InChIKeyUIEZZNHJFNGUSI-UHFFFAOYSA-N
XLogP3.33
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine
CID 3568687
1-methoxy-4-phenylbenzene cyanide
CID 159561637
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
anisole;cyanic acid
CID 174663500
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
(3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one
CID 101394052
(2S)-2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-phenylacetonitrile
CID 2192433

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile (CID 3275641) is 2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile is COc1ccc(C2=CC(c3ccccc3)C(C#N)C(N)=N2)cc1.
What is the InChIKey of 2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile?
The InChIKey is UIEZZNHJFNGUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-15-9-7-14(8-10-15)18-11-16(13-5-3-2-4-6-13)17(12-20)19(21)22-18/h2-11,16-17H,1H3,(H2,21,22).
What are the key properties of 2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile?
2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 3275641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).