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

C22H21N3O — CID 5153870

IUPAC2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(CC)cc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C22H21N3O/c1-3-15-5-7-16(8-6-15)19-13-21(25-22(24)20(19)14-23)17-9-11-18(12-10-17)26-4-2/h5-13H,3-4H2,1-2H3,(H2,24,25)
InChIKeyQZVWCNJFTMRKDU-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.83
Rot. Bonds5

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

2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile (PubChem CID 5153870) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
PubChem CID5153870
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(CC)cc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C22H21N3O/c1-3-15-5-7-16(8-6-15)19-13-21(25-22(24)20(19)14-23)17-9-11-18(12-10-17)26-4-2/h5-13H,3-4H2,1-2H3,(H2,24,25)
InChIKeyQZVWCNJFTMRKDU-UHFFFAOYSA-N
XLogP4.83
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile (CID 5153870) is 2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3ccc(CC)cc3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile?
The InChIKey is QZVWCNJFTMRKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-3-15-5-7-16(8-6-15)19-13-21(25-22(24)20(19)14-23)17-9-11-18(12-10-17)26-4-2/h5-13H,3-4H2,1-2H3,(H2,24,25).
What are the key properties of 2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile has a molecular weight of 343.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5153870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).