2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile

C20H17N3O2 — CID 856282

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-18-9-8-14(10-19(18)25-2)15-11-17(13-6-4-3-5-7-13)23-20(22)16(15)12-21/h3-11H,1-2H3,(H2,22,23)
InChIKeyOKJMBTUNNYZOMY-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.89
Rot. Bonds4

About 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile

2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 856282) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID856282
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-18-9-8-14(10-19(18)25-2)15-11-17(13-6-4-3-5-7-13)23-20(22)16(15)12-21/h3-11H,1-2H3,(H2,22,23)
InChIKeyOKJMBTUNNYZOMY-UHFFFAOYSA-N
XLogP3.89
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-(3'-Methoxybiphenyl-3-YL)ethyl)pyridin-2-amine
CID 11659487
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
2-Amino-6-(4-hydroxy-phenyl)-4-(4-methoxy-phenyl)-nicotinonitrile
CID 856248
2-Amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile
CID 700373
2-Amino-6-(4-bromophenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4366498
2-Amino-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
CID 748928
2-Amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 938228
2-(4-Methoxy-benzylamino)-4,6-dimethyl-nicotinonitrile
CID 975783
3-(3,4-Dimethoxy-2-methylphenyl)-6,7-dimethoxy-1-isoquinolinylamine
CID 1006316
2-[2-(3,4-Dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 8900952
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
CID 629427
2-Amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)nicotinonitrile
CID 856297

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile (CID 856282) is 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is OKJMBTUNNYZOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-18-9-8-14(10-19(18)25-2)15-11-17(13-6-4-3-5-7-13)23-20(22)16(15)12-21/h3-11H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile?
2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 856282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).