2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile

C17H19N3O2 — CID 655992

IUPAC2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
SMILESCCOc1cc(-c2c(C)c(CC)nc(N)c2C#N)ccc1O
InChIInChI=1S/C17H19N3O2/c1-4-13-10(3)16(12(9-18)17(19)20-13)11-6-7-14(21)15(8-11)22-5-2/h6-8,21H,4-5H2,1-3H3,(H2,19,20)
InChIKeyYNDFBHOSDMSBSV-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.18
Rot. Bonds4

About 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile

2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile (PubChem CID 655992) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
PubChem CID655992
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
SMILESCCOc1cc(-c2c(C)c(CC)nc(N)c2C#N)ccc1O
InChIInChI=1S/C17H19N3O2/c1-4-13-10(3)16(12(9-18)17(19)20-13)11-6-7-14(21)15(8-11)22-5-2/h6-8,21H,4-5H2,1-3H3,(H2,19,20)
InChIKeyYNDFBHOSDMSBSV-UHFFFAOYSA-N
XLogP3.18
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile (CID 655992) is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile is CCOc1cc(-c2c(C)c(CC)nc(N)c2C#N)ccc1O.
What is the InChIKey of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
The InChIKey is YNDFBHOSDMSBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-13-10(3)16(12(9-18)17(19)20-13)11-6-7-14(21)15(8-11)22-5-2/h6-8,21H,4-5H2,1-3H3,(H2,19,20).
What are the key properties of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 655992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).