2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile

C27H23N3O — CID 5179024

IUPAC2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)c(-c3cccc(OCc4ccccc4)c3)c2C)cc1
InChIInChI=1S/C27H23N3O/c1-18-11-13-21(14-12-18)26-19(2)25(24(16-28)27(29)30-26)22-9-6-10-23(15-22)31-17-20-7-4-3-5-8-20/h3-15H,17H2,1-2H3,(H2,29,30)
InChIKeyIFVTWIVOWNELJC-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.07
Rot. Bonds5

About 2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile

2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5179024) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
PubChem CID5179024
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)c(-c3cccc(OCc4ccccc4)c3)c2C)cc1
InChIInChI=1S/C27H23N3O/c1-18-11-13-21(14-12-18)26-19(2)25(24(16-28)27(29)30-26)22-9-6-10-23(15-22)31-17-20-7-4-3-5-8-20/h3-15H,17H2,1-2H3,(H2,29,30)
InChIKeyIFVTWIVOWNELJC-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-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633633
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
2-amino-4-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635643
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
2,4-diamino-6-[3-[(4-bromophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397384
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2,4-diamino-6-(2,6-dimethyl-4-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169398835
2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 3470401
2,4-diamino-6-[3-(2-phenylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397662
2-amino-4-(2-fluorophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172789

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile (CID 5179024) is 2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2nc(N)c(C#N)c(-c3cccc(OCc4ccccc4)c3)c2C)cc1.
What is the InChIKey of 2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is IFVTWIVOWNELJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-18-11-13-21(14-12-18)26-19(2)25(24(16-28)27(29)30-26)22-9-6-10-23(15-22)31-17-20-7-4-3-5-8-20/h3-15H,17H2,1-2H3,(H2,29,30).
What are the key properties of 2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
2-amino-5-methyl-6-(4-methylphenyl)-4-(3-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-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5179024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).