2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile

C16H17N3O2 — CID 646868

IUPAC2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCCOc1cc(-c2c(C)c(C)nc(N)c2C#N)ccc1O
InChIInChI=1S/C16H17N3O2/c1-4-21-14-7-11(5-6-13(14)20)15-9(2)10(3)19-16(18)12(15)8-17/h5-7,20H,4H2,1-3H3,(H2,18,19)
InChIKeyHXRSITSPZNCYJT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.92
Rot. Bonds3

About 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile

2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 646868) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
PubChem CID646868
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCCOc1cc(-c2c(C)c(C)nc(N)c2C#N)ccc1O
InChIInChI=1S/C16H17N3O2/c1-4-21-14-7-11(5-6-13(14)20)15-9(2)10(3)19-16(18)12(15)8-17/h5-7,20H,4H2,1-3H3,(H2,18,19)
InChIKeyHXRSITSPZNCYJT-UHFFFAOYSA-N
XLogP2.92
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.92
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)-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile (CID 646868) is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile is CCOc1cc(-c2c(C)c(C)nc(N)c2C#N)ccc1O.
What is the InChIKey of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is HXRSITSPZNCYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-21-14-7-11(5-6-13(14)20)15-9(2)10(3)19-16(18)12(15)8-17/h5-7,20H,4H2,1-3H3,(H2,18,19).
What are the key properties of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.92, 3 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)-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 646868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).