4-amino-1-methyl-2-oxopyridine-3-carbonitrile

C7H7N3O — CID 14148539

IUPAC4-amino-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1ccc(N)c(C#N)c1=O
InChIInChI=1S/C7H7N3O/c1-10-3-2-6(9)5(4-8)7(10)11/h2-3H,9H2,1H3
InChIKeyAVXQRUTZPLXYKI-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.16
Rot. Bonds

About 4-amino-1-methyl-2-oxopyridine-3-carbonitrile

4-amino-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 14148539) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-amino-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID14148539
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-amino-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1ccc(N)c(C#N)c1=O
InChIInChI=1S/C7H7N3O/c1-10-3-2-6(9)5(4-8)7(10)11/h2-3H,9H2,1H3
InChIKeyAVXQRUTZPLXYKI-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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-amino-1-methyl-2-oxopyridine-3-carbonitrile (CID 14148539) is 4-amino-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-amino-1-methyl-2-oxopyridine-3-carbonitrile is Cn1ccc(N)c(C#N)c1=O.
What is the InChIKey of 4-amino-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is AVXQRUTZPLXYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-10-3-2-6(9)5(4-8)7(10)11/h2-3H,9H2,1H3.
What are the key properties of 4-amino-1-methyl-2-oxopyridine-3-carbonitrile?
4-amino-1-methyl-2-oxopyridine-3-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 4-amino-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 14148539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).