2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile

C18H21N3O — CID 748947

IUPAC2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CC
InChIInChI=1S/C18H21N3O/c1-4-8-15-12(5-2)17(14(11-19)18(20)21-15)13-9-6-7-10-16(13)22-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,20,21)
InChIKeyYQCWSPFYLARXNQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.73
Rot. Bonds5

About 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile

2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile (PubChem CID 748947) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile
PubChem CID748947
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CC
InChIInChI=1S/C18H21N3O/c1-4-8-15-12(5-2)17(14(11-19)18(20)21-15)13-9-6-7-10-16(13)22-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,20,21)
InChIKeyYQCWSPFYLARXNQ-UHFFFAOYSA-N
XLogP3.73
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile
CID 4634977
2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile
CID 4635175
2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile
CID 4634975
2-amino-4-[4-(dimethylamino)phenyl]-5-ethyl-6-propylpyridine-3-carbonitrile
CID 4634985
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432590
2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 6491041
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796
2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633482

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile (CID 748947) is 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile is CCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CC.
What is the InChIKey of 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile?
The InChIKey is YQCWSPFYLARXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-8-15-12(5-2)17(14(11-19)18(20)21-15)13-9-6-7-10-16(13)22-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,20,21).
What are the key properties of 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile?
2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile is sourced from PubChem (CID 748947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).