2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile

C17H19N3O2 — CID 652507

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C17H19N3O2/c1-5-13-10(2)16(12(9-18)17(19)20-13)11-6-7-14(21-3)15(8-11)22-4/h6-8H,5H2,1-4H3,(H2,19,20)
InChIKeyFFRBZSOGMOBNLQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile

2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile (PubChem CID 652507) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
PubChem CID652507
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C17H19N3O2/c1-5-13-10(2)16(12(9-18)17(19)20-13)11-6-7-14(21-3)15(8-11)22-4/h6-8H,5H2,1-4H3,(H2,19,20)
InChIKeyFFRBZSOGMOBNLQ-UHFFFAOYSA-N
XLogP3.09
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile (CID 652507) is 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile is CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
The InChIKey is FFRBZSOGMOBNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-5-13-10(2)16(12(9-18)17(19)20-13)11-6-7-14(21-3)15(8-11)22-4/h6-8H,5H2,1-4H3,(H2,19,20).
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 652507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).