2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile

C20H15Cl2N3 — CID 3523944

IUPAC2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)cc1
InChIInChI=1S/C20H15Cl2N3/c1-2-12-3-5-13(6-4-12)15-10-19(25-20(24)16(15)11-23)14-7-8-17(21)18(22)9-14/h3-10H,2H2,1H3,(H2,24,25)
InChIKeySLXXIOHQJSRJEW-UHFFFAOYSA-N
MW368.27 g/mol
LogP5.74
Rot. Bonds3

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

2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile (PubChem CID 3523944) has the molecular formula C20H15Cl2N3 and a molecular weight of 368.27 g/mol. Its IUPAC name is 2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
PubChem CID3523944
Molecular FormulaC20H15Cl2N3
Molecular Weight368.27 g/mol
Exact Mass367.06
IUPAC Name2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)cc1
InChIInChI=1S/C20H15Cl2N3/c1-2-12-3-5-13(6-4-12)15-10-19(25-20(24)16(15)11-23)14-7-8-17(21)18(22)9-14/h3-10H,2H2,1H3,(H2,24,25)
InChIKeySLXXIOHQJSRJEW-UHFFFAOYSA-N
XLogP5.74
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.27
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile (CID 3523944) is 2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile is CCc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile?
The InChIKey is SLXXIOHQJSRJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3/c1-2-12-3-5-13(6-4-12)15-10-19(25-20(24)16(15)11-23)14-7-8-17(21)18(22)9-14/h3-10H,2H2,1H3,(H2,24,25).
What are the key properties of 2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile?
2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile has a molecular weight of 368.27 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3523944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).