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

C21H19N3O — CID 4633632

IUPAC2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C
InChIInChI=1S/C21H19N3O/c1-14-15(2)24-21(23)19(12-22)20(14)17-8-10-18(11-9-17)25-13-16-6-4-3-5-7-16/h3-11H,13H2,1-2H3,(H2,23,24)
InChIKeyFZELELLEWBPFSZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.40
Rot. Bonds4

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

2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 4633632) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
PubChem CID4633632
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C
InChIInChI=1S/C21H19N3O/c1-14-15(2)24-21(23)19(12-22)20(14)17-8-10-18(11-9-17)25-13-16-6-4-3-5-7-16/h3-11H,13H2,1-2H3,(H2,23,24)
InChIKeyFZELELLEWBPFSZ-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

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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-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 5179024
2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 4633998
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 3470401
2,4-diamino-6-(2,6-dimethyl-4-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169398835
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
2-amino-6-benzylsulfanyl-4-[4-(2-methoxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710001
2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3341395
2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile (CID 4633632) is 2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile is Cc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C.
What is the InChIKey of 2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is FZELELLEWBPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-15(2)24-21(23)19(12-22)20(14)17-8-10-18(11-9-17)25-13-16-6-4-3-5-7-16/h3-11H,13H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile?
2-amino-5,6-dimethyl-4-(4-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-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4633632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).