2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile

C20H17N3O — CID 5119909

IUPAC2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H17N3O/c1-13-6-8-14(9-7-13)17-11-19(23-20(22)18(17)12-21)15-4-3-5-16(10-15)24-2/h3-11H,1-2H3,(H2,22,23)
InChIKeyRGXRSEQJXZGNHS-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.19
Rot. Bonds3

About 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile

2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 5119909) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID5119909
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H17N3O/c1-13-6-8-14(9-7-13)17-11-19(23-20(22)18(17)12-21)15-4-3-5-16(10-15)24-2/h3-11H,1-2H3,(H2,22,23)
InChIKeyRGXRSEQJXZGNHS-UHFFFAOYSA-N
XLogP4.19
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5120091
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-6-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 4636256
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile (CID 5119909) is 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is RGXRSEQJXZGNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-6-8-14(9-7-13)17-11-19(23-20(22)18(17)12-21)15-4-3-5-16(10-15)24-2/h3-11H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile?
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5119909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).