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

C21H19N3O2 — CID 5259045

IUPAC2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C21H19N3O2/c1-3-26-17-10-6-15(7-11-17)20-12-18(19(13-22)21(23)24-20)14-4-8-16(25-2)9-5-14/h4-12H,3H2,1-2H3,(H2,23,24)
InChIKeyHJEFZYODHVQHNI-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.28
Rot. Bonds5

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

2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5259045) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID5259045
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C21H19N3O2/c1-3-26-17-10-6-15(7-11-17)20-12-18(19(13-22)21(23)24-20)14-4-8-16(25-2)9-5-14/h4-12H,3H2,1-2H3,(H2,23,24)
InChIKeyHJEFZYODHVQHNI-UHFFFAOYSA-N
XLogP4.28
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5153880
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 5241329
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241528
2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241532
2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 44817564
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-4-(2-chlorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5259033
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 5259045) is 2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is HJEFZYODHVQHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-3-26-17-10-6-15(7-11-17)20-12-18(19(13-22)21(23)24-20)14-4-8-16(25-2)9-5-14/h4-12H,3H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 345.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5259045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).