5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C9H11N3O2 — CID 15538525

IUPAC5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C)c(N)c1=O
InChIInChI=1S/C9H11N3O2/c1-3-12-8(13)6(4-10)5(2)7(11)9(12)14/h13H,3,11H2,1-2H3
InChIKeyGSWHUUYOMBTFHK-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.34
Rot. Bonds1

About 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 15538525) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID15538525
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C)c(N)c1=O
InChIInChI=1S/C9H11N3O2/c1-3-12-8(13)6(4-10)5(2)7(11)9(12)14/h13H,3,11H2,1-2H3
InChIKeyGSWHUUYOMBTFHK-UHFFFAOYSA-N
XLogP0.34
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 15538525) is 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is CCn1c(O)c(C#N)c(C)c(N)c1=O.
What is the InChIKey of 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is GSWHUUYOMBTFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-12-8(13)6(4-10)5(2)7(11)9(12)14/h13H,3,11H2,1-2H3.
What are the key properties of 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 15538525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).