2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

C23H23N3 — CID 3506050

IUPAC2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccc(C(C)C)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C23H23N3/c1-14(2)17-7-9-18(10-8-17)20-12-22(26-23(25)21(20)13-24)19-11-15(3)5-6-16(19)4/h5-12,14H,1-4H3,(H2,25,26)
InChIKeyKMVRUHDSCVLBEG-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.61
Rot. Bonds3

About 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (PubChem CID 3506050) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
PubChem CID3506050
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccc(C(C)C)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C23H23N3/c1-14(2)17-7-9-18(10-8-17)20-12-22(26-23(25)21(20)13-24)19-11-15(3)5-6-16(19)4/h5-12,14H,1-4H3,(H2,25,26)
InChIKeyKMVRUHDSCVLBEG-UHFFFAOYSA-N
XLogP5.61
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (CID 3506050) is 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is Cc1ccc(C)c(-c2cc(-c3ccc(C(C)C)cc3)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is KMVRUHDSCVLBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-14(2)17-7-9-18(10-8-17)20-12-22(26-23(25)21(20)13-24)19-11-15(3)5-6-16(19)4/h5-12,14H,1-4H3,(H2,25,26).
What are the key properties of 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 341.46 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3506050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).