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

C18H21N3O — CID 748958

IUPAC2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC
InChIInChI=1S/C18H21N3O/c1-4-6-16-14(5-2)17(15(11-19)18(20)21-16)12-7-9-13(22-3)10-8-12/h7-10H,4-6H2,1-3H3,(H2,20,21)
InChIKeyQJDLOOZPSGUTBR-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.73
Rot. Bonds5

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

2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile (PubChem CID 748958) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile
PubChem CID748958
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC
InChIInChI=1S/C18H21N3O/c1-4-6-16-14(5-2)17(15(11-19)18(20)21-16)12-7-9-13(22-3)10-8-12/h7-10H,4-6H2,1-3H3,(H2,20,21)
InChIKeyQJDLOOZPSGUTBR-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile (CID 748958) is 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile is CCCc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC.
What is the InChIKey of 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile?
The InChIKey is QJDLOOZPSGUTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-6-16-14(5-2)17(15(11-19)18(20)21-16)12-7-9-13(22-3)10-8-12/h7-10H,4-6H2,1-3H3,(H2,20,21).
What are the key properties of 2-amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile?
2-amino-5-ethyl-4-(4-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-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile is sourced from PubChem (CID 748958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).