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

C18H21N3 — CID 4634975

IUPAC2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1CC
InChIInChI=1S/C18H21N3/c1-4-6-16-14(5-2)17(15(11-19)18(20)21-16)13-9-7-12(3)8-10-13/h7-10H,4-6H2,1-3H3,(H2,20,21)
InChIKeyIVEUBZZUZNGNGY-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.03
Rot. Bonds4

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

2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile (PubChem CID 4634975) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile
PubChem CID4634975
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1CC
InChIInChI=1S/C18H21N3/c1-4-6-16-14(5-2)17(15(11-19)18(20)21-16)13-9-7-12(3)8-10-13/h7-10H,4-6H2,1-3H3,(H2,20,21)
InChIKeyIVEUBZZUZNGNGY-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-4-[4-(dimethylamino)phenyl]-5-ethyl-6-propylpyridine-3-carbonitrile
CID 4634985
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-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile
CID 748947
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
2-amino-4-(4-methylphenyl)-6-(4-methylphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 102234389
2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634661
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-4-(2,4-dimethylphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634508
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 856305

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile (CID 4634975) is 2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile is CCCc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1CC.
What is the InChIKey of 2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile?
The InChIKey is IVEUBZZUZNGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-6-16-14(5-2)17(15(11-19)18(20)21-16)13-9-7-12(3)8-10-13/h7-10H,4-6H2,1-3H3,(H2,20,21).
What are the key properties of 2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile?
2-amino-5-ethyl-4-(4-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-(4-methylphenyl)-6-propylpyridine-3-carbonitrile is sourced from PubChem (CID 4634975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).