5-amino-1-methyl-6-oxopyridine-2-carbonitrile

C7H7N3O — CID 118955385

IUPAC5-amino-1-methyl-6-oxopyridine-2-carbonitrile
SMILESCn1c(C#N)ccc(N)c1=O
InChIInChI=1S/C7H7N3O/c1-10-5(4-8)2-3-6(9)7(10)11/h2-3H,9H2,1H3
InChIKeyGYFKDNYSOQWVFX-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.16
Rot. Bonds

About 5-amino-1-methyl-6-oxopyridine-2-carbonitrile

5-amino-1-methyl-6-oxopyridine-2-carbonitrile (PubChem CID 118955385) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-amino-1-methyl-6-oxopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-1-methyl-6-oxopyridine-2-carbonitrile
PubChem CID118955385
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5-amino-1-methyl-6-oxopyridine-2-carbonitrile
SMILESCn1c(C#N)ccc(N)c1=O
InChIInChI=1S/C7H7N3O/c1-10-5(4-8)2-3-6(9)7(10)11/h2-3H,9H2,1H3
InChIKeyGYFKDNYSOQWVFX-UHFFFAOYSA-N
XLogP-0.16
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-methyl-6-oxopyridine-2-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 5-amino-1-methyl-6-oxopyridine-2-carbonitrile?
The IUPAC name of 5-amino-1-methyl-6-oxopyridine-2-carbonitrile (CID 118955385) is 5-amino-1-methyl-6-oxopyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-1-methyl-6-oxopyridine-2-carbonitrile?
The canonical SMILES for 5-amino-1-methyl-6-oxopyridine-2-carbonitrile is Cn1c(C#N)ccc(N)c1=O.
What is the InChIKey of 5-amino-1-methyl-6-oxopyridine-2-carbonitrile?
The InChIKey is GYFKDNYSOQWVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-10-5(4-8)2-3-6(9)7(10)11/h2-3H,9H2,1H3.
What are the key properties of 5-amino-1-methyl-6-oxopyridine-2-carbonitrile?
5-amino-1-methyl-6-oxopyridine-2-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-6-oxopyridine-2-carbonitrile is sourced from PubChem (CID 118955385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).