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

C16H17N3O2 — CID 651982

IUPAC2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccc(O)c(OC)c2)c1C
InChIInChI=1S/C16H17N3O2/c1-4-12-9(2)15(11(8-17)16(18)19-12)10-5-6-13(20)14(7-10)21-3/h5-7,20H,4H2,1-3H3,(H2,18,19)
InChIKeyJDEGETYTXUWVJF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.79
Rot. Bonds3

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

2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 651982) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID651982
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccc(O)c(OC)c2)c1C
InChIInChI=1S/C16H17N3O2/c1-4-12-9(2)15(11(8-17)16(18)19-12)10-5-6-13(20)14(7-10)21-3/h5-7,20H,4H2,1-3H3,(H2,18,19)
InChIKeyJDEGETYTXUWVJF-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile (CID 651982) is 2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile is CCc1nc(N)c(C#N)c(-c2ccc(O)c(OC)c2)c1C.
What is the InChIKey of 2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is JDEGETYTXUWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-12-9(2)15(11(8-17)16(18)19-12)10-5-6-13(20)14(7-10)21-3/h5-7,20H,4H2,1-3H3,(H2,18,19).
What are the key properties of 2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-4-(4-hydroxy-3-methoxyphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 651982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).