1-methyl-N-oxidopyridin-1-ium-3-carboxamide

C7H8N2O2 — CID 51373503

IUPAC1-methyl-N-oxidopyridin-1-ium-3-carboxamide
SMILESC[n+]1cccc(C(=O)N[O-])c1
InChIInChI=1S/C7H8N2O2/c1-9-4-2-3-6(5-9)7(10)8-11/h2-5H,1H3,(H-,8,10,11)
InChIKeyUFDKXOPTJQISMG-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.26
Rot. Bonds1

About 1-methyl-N-oxidopyridin-1-ium-3-carboxamide

1-methyl-N-oxidopyridin-1-ium-3-carboxamide (PubChem CID 51373503) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-methyl-N-oxidopyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-oxidopyridin-1-ium-3-carboxamide
PubChem CID51373503
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-methyl-N-oxidopyridin-1-ium-3-carboxamide
SMILESC[n+]1cccc(C(=O)N[O-])c1
InChIInChI=1S/C7H8N2O2/c1-9-4-2-3-6(5-9)7(10)8-11/h2-5H,1H3,(H-,8,10,11)
InChIKeyUFDKXOPTJQISMG-UHFFFAOYSA-N
XLogP-0.26
TPSA56.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl 1-methylpyridin-1-ium-3-carboxylate chloride
CID 3084022
methyl 1-methylpyridin-1-ium-3-carboxylate bromide
CID 117061302
carbanide;1-methylpyridin-1-ium-3-carboxylic acid
CID 167588121
1-(1-methylpyridin-1-ium-3-yl)ethanone perchlorate
CID 44890118
[(1-methylpyridin-1-ium-3-carbonyl)amino]methyl acetate
CID 138705846
1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide
CID 13473407
[(1-methylpyridin-1-ium-3-carbonyl)amino]methyl benzoate iodide
CID 138705862
[(1-methylpyridin-1-ium-3-carbonyl)amino]methyl 2-methylpropanoate iodide
CID 138705814
[(1-methylpyridin-1-ium-3-carbonyl)amino]methyl 2,2-dimethylpropanoate
CID 163204268
N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyridin-1-ium-3-carboxamide
CID 3578527
lead(2+);bis(N-oxidobenzamide)
CID 174994108
1-methyl-N-[(Z)-[(E)-2-methylpent-2-enylidene]amino]pyridin-1-ium-3-carboxamide
CID 5476388

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-oxidopyridin-1-ium-3-carboxamide?
The IUPAC name of 1-methyl-N-oxidopyridin-1-ium-3-carboxamide (CID 51373503) is 1-methyl-N-oxidopyridin-1-ium-3-carboxamide.
What is the SMILES notation for 1-methyl-N-oxidopyridin-1-ium-3-carboxamide?
The canonical SMILES for 1-methyl-N-oxidopyridin-1-ium-3-carboxamide is C[n+]1cccc(C(=O)N[O-])c1.
What is the InChIKey of 1-methyl-N-oxidopyridin-1-ium-3-carboxamide?
The InChIKey is UFDKXOPTJQISMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-9-4-2-3-6(5-9)7(10)8-11/h2-5H,1H3,(H-,8,10,11).
What are the key properties of 1-methyl-N-oxidopyridin-1-ium-3-carboxamide?
1-methyl-N-oxidopyridin-1-ium-3-carboxamide has a molecular weight of 152.15 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-oxidopyridin-1-ium-3-carboxamide is sourced from PubChem (CID 51373503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).