1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide

C7H10N2O2 — CID 163923755

IUPAC1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide
SMILESC[N+]1([O-])C=CCC(C(N)=O)=C1
InChIInChI=1S/C7H10N2O2/c1-9(11)4-2-3-6(5-9)7(8)10/h2,4-5H,3H2,1H3,(H2,8,10)
InChIKeyRCQZEUDDVKANGG-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.22
Rot. Bonds1

About 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide

1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide (PubChem CID 163923755) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide
PubChem CID163923755
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide
SMILESC[N+]1([O-])C=CCC(C(N)=O)=C1
InChIInChI=1S/C7H10N2O2/c1-9(11)4-2-3-6(5-9)7(8)10/h2,4-5H,3H2,1H3,(H2,8,10)
InChIKeyRCQZEUDDVKANGG-UHFFFAOYSA-N
XLogP0.22
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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1-[2-(dimethylamino)ethyl]-4H-pyridine-3-carboxamide
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1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
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1-(4-fluorophenyl)-4H-pyridine-3-carboxamide
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CID 175609678
2-hydroxycyclohepta-1,4,6-triene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide?
The IUPAC name of 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide (CID 163923755) is 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide.
What is the SMILES notation for 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide?
The canonical SMILES for 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide is C[N+]1([O-])C=CCC(C(N)=O)=C1.
What is the InChIKey of 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide?
The InChIKey is RCQZEUDDVKANGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-9(11)4-2-3-6(5-9)7(8)10/h2,4-5H,3H2,1H3,(H2,8,10).
What are the key properties of 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide?
1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide has a molecular weight of 154.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-oxido-4H-pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 163923755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).