2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile

C21H19N3O — CID 4633633

IUPAC2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2cccc(OCc3ccccc3)c2)c1C
InChIInChI=1S/C21H19N3O/c1-14-15(2)24-21(23)19(12-22)20(14)17-9-6-10-18(11-17)25-13-16-7-4-3-5-8-16/h3-11H,13H2,1-2H3,(H2,23,24)
InChIKeyYFYFYPIXOHZTAH-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.40
Rot. Bonds4

About 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile

2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 4633633) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
PubChem CID4633633
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2cccc(OCc3ccccc3)c2)c1C
InChIInChI=1S/C21H19N3O/c1-14-15(2)24-21(23)19(12-22)20(14)17-9-6-10-18(11-17)25-13-16-7-4-3-5-8-16/h3-11H,13H2,1-2H3,(H2,23,24)
InChIKeyYFYFYPIXOHZTAH-UHFFFAOYSA-N
XLogP4.40
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 5179024
2-amino-4-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635643
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2,4-diamino-6-(2,6-dimethyl-4-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169398835
2,4-diamino-6-[3-[(4-bromophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397384
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
3-chloro-5-(3-phenylmethoxyphenyl)benzonitrile
CID 172993814
2,4-diamino-6-[3-(2-phenylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397662
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile (CID 4633633) is 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile is Cc1nc(N)c(C#N)c(-c2cccc(OCc3ccccc3)c2)c1C.
What is the InChIKey of 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is YFYFYPIXOHZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-15(2)24-21(23)19(12-22)20(14)17-9-6-10-18(11-17)25-13-16-7-4-3-5-8-16/h3-11H,13H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile?
2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 329.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4633633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).