N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide

C10H14N3O+ — CID 123217101

IUPACN-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide
SMILESCNC(=O)c1ccnc([N+]2(C)CC2)c1
InChIInChI=1S/C10H13N3O/c1-11-10(14)8-3-4-12-9(7-8)13(2)5-6-13/h3-4,7H,5-6H2,1-2H3/p+1
InChIKeyRDRSYVDLOGZNQG-UHFFFAOYSA-O
MW192.24 g/mol
LogP0.39
Rot. Bonds2

About N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide

N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide (PubChem CID 123217101) has the molecular formula C10H14N3O+ and a molecular weight of 192.24 g/mol. Its IUPAC name is N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide
PubChem CID123217101
Molecular FormulaC10H14N3O+
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC NameN-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide
SMILESCNC(=O)c1ccnc([N+]2(C)CC2)c1
InChIInChI=1S/C10H13N3O/c1-11-10(14)8-3-4-12-9(7-8)13(2)5-6-13/h3-4,7H,5-6H2,1-2H3/p+1
InChIKeyRDRSYVDLOGZNQG-UHFFFAOYSA-O
XLogP0.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide
CID 177051325
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide
CID 143484449
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide
CID 91107211
N-methylpyridine-3-carboxamide chloride
CID 20976730
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide (CID 123217101) is N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide is CNC(=O)c1ccnc([N+]2(C)CC2)c1.
What is the InChIKey of N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide?
The InChIKey is RDRSYVDLOGZNQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N3O/c1-11-10(14)8-3-4-12-9(7-8)13(2)5-6-13/h3-4,7H,5-6H2,1-2H3/p+1.
What are the key properties of N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide?
N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide has a molecular weight of 192.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 123217101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).