2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile

C27H23N3O — CID 3470401

IUPAC2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)c(C#N)c(N)n2)c(C)c1
InChIInChI=1S/C27H23N3O/c1-18-8-13-23(19(2)14-18)26-15-24(25(16-28)27(29)30-26)21-9-11-22(12-10-21)31-17-20-6-4-3-5-7-20/h3-15H,17H2,1-2H3,(H2,29,30)
InChIKeyAZFNAZOPYZCOTR-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.07
Rot. Bonds5

About 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 3470401) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
PubChem CID3470401
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)c(C#N)c(N)n2)c(C)c1
InChIInChI=1S/C27H23N3O/c1-18-8-13-23(19(2)14-18)26-15-24(25(16-28)27(29)30-26)21-9-11-22(12-10-21)31-17-20-6-4-3-5-7-20/h3-15H,17H2,1-2H3,(H2,29,30)
InChIKeyAZFNAZOPYZCOTR-UHFFFAOYSA-N
XLogP6.07
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-6-(2,4-dimethylphenyl)-4-(2-ethoxyphenyl)pyridine-3-carbonitrile
CID 3464758
2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230485
methyl 4-[2-amino-3-cyano-6-(2,4-dimethylphenyl)-4-pyridinyl]benzoate
CID 3470406
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 3480329
2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3464753
2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 5179024
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile (CID 3470401) is 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)c(C#N)c(N)n2)c(C)c1.
What is the InChIKey of 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is AZFNAZOPYZCOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-18-8-13-23(19(2)14-18)26-15-24(25(16-28)27(29)30-26)21-9-11-22(12-10-21)31-17-20-6-4-3-5-7-20/h3-15H,17H2,1-2H3,(H2,29,30).
What are the key properties of 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 405.50 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3470401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).