2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

C22H20ClN3 — CID 3313314

IUPAC2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H20ClN3/c1-13(2)15-4-6-16(7-5-15)20-14(3)21(26-22(25)19(20)12-24)17-8-10-18(23)11-9-17/h4-11,13H,1-3H3,(H2,25,26)
InChIKeyJWURFVZAPABYFH-UHFFFAOYSA-N
MW361.88 g/mol
LogP5.95
Rot. Bonds3

About 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (PubChem CID 3313314) has the molecular formula C22H20ClN3 and a molecular weight of 361.88 g/mol. Its IUPAC name is 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
PubChem CID3313314
Molecular FormulaC22H20ClN3
Molecular Weight361.88 g/mol
Exact Mass361.13
IUPAC Name2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H20ClN3/c1-13(2)15-4-6-16(7-5-15)20-14(3)21(26-22(25)19(20)12-24)17-8-10-18(23)11-9-17/h4-11,13H,1-3H3,(H2,25,26)
InChIKeyJWURFVZAPABYFH-UHFFFAOYSA-N
XLogP5.95
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.88
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (CID 3313314) is 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is Cc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is JWURFVZAPABYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3/c1-13(2)15-4-6-16(7-5-15)20-14(3)21(26-22(25)19(20)12-24)17-8-10-18(23)11-9-17/h4-11,13H,1-3H3,(H2,25,26).
What are the key properties of 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 361.88 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3313314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).