2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile

C21H19N3O — CID 856266

IUPAC2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)cc1
InChIInChI=1S/C21H19N3O/c1-3-17-19(14-9-11-16(25-2)12-10-14)18(13-22)21(23)24-20(17)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H2,23,24)
InChIKeySDQKXWCYPYOEDQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.44
Rot. Bonds4

About 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile

2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 856266) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID856266
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)cc1
InChIInChI=1S/C21H19N3O/c1-3-17-19(14-9-11-16(25-2)12-10-14)18(13-22)21(23)24-20(17)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H2,23,24)
InChIKeySDQKXWCYPYOEDQ-UHFFFAOYSA-N
XLogP4.44
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 856305
2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3400568
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
CID 5208157
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 5208158
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
CID 1488060
3-amino-1-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 23823826
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
CID 12862277

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile (CID 856266) is 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile is CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)cc1.
What is the InChIKey of 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is SDQKXWCYPYOEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-3-17-19(14-9-11-16(25-2)12-10-14)18(13-22)21(23)24-20(17)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile?
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 329.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 856266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).