1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide

C6H8N2O2 — CID 90032858

IUPAC1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide
SMILESNC(=O)C1=CC=C[NH+]([O-])C1
InChIInChI=1S/C6H8N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-3,8H,4H2,(H2,7,9)
InChIKeyKAOSVQOKZCODBJ-UHFFFAOYSA-N
MW140.14 g/mol
LogP-1.69
Rot. Bonds1

About 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide

1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide (PubChem CID 90032858) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide
PubChem CID90032858
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide
SMILESNC(=O)C1=CC=C[NH+]([O-])C1
InChIInChI=1S/C6H8N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-3,8H,4H2,(H2,7,9)
InChIKeyKAOSVQOKZCODBJ-UHFFFAOYSA-N
XLogP-1.69
TPSA70.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide 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-oxido-1,2-dihydropyridin-1-ium-3-carboxamide?
The IUPAC name of 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide (CID 90032858) is 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide.
What is the SMILES notation for 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide?
The canonical SMILES for 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide is NC(=O)C1=CC=C[NH+]([O-])C1.
What is the InChIKey of 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide?
The InChIKey is KAOSVQOKZCODBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-3,8H,4H2,(H2,7,9).
What are the key properties of 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide?
1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide has a molecular weight of 140.14 g/mol, XLogP of -1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-1,2-dihydropyridin-1-ium-3-carboxamide is sourced from PubChem (CID 90032858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).