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

C18H21N3 — CID 4634977

IUPAC2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccccc2C)c1CC
InChIInChI=1S/C18H21N3/c1-4-8-16-13(5-2)17(15(11-19)18(20)21-16)14-10-7-6-9-12(14)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,20,21)
InChIKeyOYMKNXMBBDQGLR-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.03
Rot. Bonds4

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

2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile (PubChem CID 4634977) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile
PubChem CID4634977
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccccc2C)c1CC
InChIInChI=1S/C18H21N3/c1-4-8-16-13(5-2)17(15(11-19)18(20)21-16)14-10-7-6-9-12(14)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,20,21)
InChIKeyOYMKNXMBBDQGLR-UHFFFAOYSA-N
XLogP4.03
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile
CID 748947
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
2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile
CID 4635175
2-amino-4-(2,4-dimethylphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634508
2-amino-6-(4-chlorophenyl)-5-methyl-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3313312
2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile
CID 882406
2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
CID 5208157
2-amino-6-(2,4-dichlorophenyl)-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3389205
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
CID 7289453
2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634661
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile (CID 4634977) is 2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile is CCCc1nc(N)c(C#N)c(-c2ccccc2C)c1CC.
What is the InChIKey of 2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile?
The InChIKey is OYMKNXMBBDQGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-8-16-13(5-2)17(15(11-19)18(20)21-16)14-10-7-6-9-12(14)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-methylphenyl)-6-propylpyridine-3-carbonitrile?
2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile has a molecular weight of 279.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile is sourced from PubChem (CID 4634977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).