1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C9H11N3O2 — CID 19688388

IUPAC1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(C(C)N)c(O)c1C#N
InChIInChI=1S/C9H11N3O2/c1-5-3-8(13)12(6(2)11)9(14)7(5)4-10/h3,6,14H,11H2,1-2H3
InChIKeyWRVWBMGOTIRKME-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.21
Rot. Bonds1

About 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 19688388) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID19688388
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(C(C)N)c(O)c1C#N
InChIInChI=1S/C9H11N3O2/c1-5-3-8(13)12(6(2)11)9(14)7(5)4-10/h3,6,14H,11H2,1-2H3
InChIKeyWRVWBMGOTIRKME-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 19688388) is 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is Cc1cc(=O)n(C(C)N)c(O)c1C#N.
What is the InChIKey of 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is WRVWBMGOTIRKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-3-8(13)12(6(2)11)9(14)7(5)4-10/h3,6,14H,11H2,1-2H3.
What are the key properties of 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19688388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).