2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile

C19H16N4O — CID 5153880

IUPAC2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccncc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H16N4O/c1-2-24-15-5-3-14(4-6-15)18-11-16(13-7-9-22-10-8-13)17(12-20)19(21)23-18/h3-11H,2H2,1H3,(H2,21,23)
InChIKeyLFLBRRCAHRFWLU-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.66
Rot. Bonds4

About 2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile

2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 5153880) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID5153880
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccncc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H16N4O/c1-2-24-15-5-3-14(4-6-15)18-11-16(13-7-9-22-10-8-13)17(12-20)19(21)23-18/h3-11H,2H2,1H3,(H2,21,23)
InChIKeyLFLBRRCAHRFWLU-UHFFFAOYSA-N
XLogP3.66
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 44817564
2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 5241329
2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241532
2-amino-4-(2-chlorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5259033
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241528
2-amino-4-(4-fluorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636653
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240
2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 73292262

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile (CID 5153880) is 2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3ccncc3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is LFLBRRCAHRFWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-24-15-5-3-14(4-6-15)18-11-16(13-7-9-22-10-8-13)17(12-20)19(21)23-18/h3-11H,2H2,1H3,(H2,21,23).
What are the key properties of 2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.66, 4 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-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 5153880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).