6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

C11H13N3O2 — CID 83814829

IUPAC6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(N)c(C=O)c(C)c(C#N)c1=O
InChIInChI=1S/C11H13N3O2/c1-3-4-14-10(13)9(6-15)7(2)8(5-12)11(14)16/h6H,3-4,13H2,1-2H3
InChIKeyURFLIPWVJAOTSG-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.83
Rot. Bonds3

About 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 83814829) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID83814829
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(N)c(C=O)c(C)c(C#N)c1=O
InChIInChI=1S/C11H13N3O2/c1-3-4-14-10(13)9(6-15)7(2)8(5-12)11(14)16/h6H,3-4,13H2,1-2H3
InChIKeyURFLIPWVJAOTSG-UHFFFAOYSA-N
XLogP0.83
TPSA88.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-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 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (CID 83814829) is 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(N)c(C=O)c(C)c(C#N)c1=O.
What is the InChIKey of 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is URFLIPWVJAOTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-4-14-10(13)9(6-15)7(2)8(5-12)11(14)16/h6H,3-4,13H2,1-2H3.
What are the key properties of 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 83814829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).