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

C7H9N2O+ — CID 57064204

IUPACN-methyl-3H-pyridin-1-ium-4-carboxamide
SMILESCNC(=O)C1=CC=[N+]=CC1
InChIInChI=1S/C7H8N2O/c1-8-7(10)6-2-4-9-5-3-6/h2,4-5H,3H2,1H3/p+1
InChIKeyBQBUBTUUBKUDSA-UHFFFAOYSA-O
MW137.16 g/mol
LogP-0.73
Rot. Bonds1

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

N-methyl-3H-pyridin-1-ium-4-carboxamide (PubChem CID 57064204) has the molecular formula C7H9N2O+ and a molecular weight of 137.16 g/mol. Its IUPAC name is N-methyl-3H-pyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3H-pyridin-1-ium-4-carboxamide
PubChem CID57064204
Molecular FormulaC7H9N2O+
Molecular Weight137.16 g/mol
Exact Mass137.07
IUPAC NameN-methyl-3H-pyridin-1-ium-4-carboxamide
SMILESCNC(=O)C1=CC=[N+]=CC1
InChIInChI=1S/C7H8N2O/c1-8-7(10)6-2-4-9-5-3-6/h2,4-5H,3H2,1H3/p+1
InChIKeyBQBUBTUUBKUDSA-UHFFFAOYSA-O
XLogP-0.73
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide
CID 90832404
N-methyl-6-oxo-3H-pyridine-3-carboxamide
CID 78169459
N-methyl-2,3-dihydropyridine-5-carboxamide
CID 53843387
2,5-Dihydropyridine-4-carboxamide
CID 57070802
3H-pyridin-1-ium-4-carboxamide
CID 57095584
1-Methyl-2,3-dihydropyridin-1-ium-4-carboxamide
CID 69022636
2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide
CID 91470726
2,3-Dihydropyridine-4-carboxamide
CID 91606672
N,3-dimethyl-2,3-dihydropyridine-5-carboxamide
CID 123307049
N,2-dimethyl-3,4-dihydro-2H-azepine-6-carboxamide
CID 123450050
N-methyl-2-oxo-3H-pyridine-5-carboxamide
CID 129636188
(2E,4Z)-N,4-dimethyl-2-(methyliminomethyl)hexa-2,4-dienamide
CID 132076820

Frequently Asked Questions

What is the IUPAC name of N-methyl-3H-pyridin-1-ium-4-carboxamide?
The IUPAC name of N-methyl-3H-pyridin-1-ium-4-carboxamide (CID 57064204) is N-methyl-3H-pyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-methyl-3H-pyridin-1-ium-4-carboxamide?
The canonical SMILES for N-methyl-3H-pyridin-1-ium-4-carboxamide is CNC(=O)C1=CC=[N+]=CC1.
What is the InChIKey of N-methyl-3H-pyridin-1-ium-4-carboxamide?
The InChIKey is BQBUBTUUBKUDSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8N2O/c1-8-7(10)6-2-4-9-5-3-6/h2,4-5H,3H2,1H3/p+1.
What are the key properties of N-methyl-3H-pyridin-1-ium-4-carboxamide?
N-methyl-3H-pyridin-1-ium-4-carboxamide has a molecular weight of 137.16 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3H-pyridin-1-ium-4-carboxamide is sourced from PubChem (CID 57064204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).