N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide

C9H11N3O2 — CID 130890953

IUPACN-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide
SMILESNC1CC1NC(=O)c1cc[n+]([O-])cc1
InChIInChI=1S/C9H11N3O2/c10-7-5-8(7)11-9(13)6-1-3-12(14)4-2-6/h1-4,7-8H,5,10H2,(H,11,13)
InChIKeyMDGPDSXTGUZGLV-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.85
Rot. Bonds2

About N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide

N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 130890953) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID130890953
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide
SMILESNC1CC1NC(=O)c1cc[n+]([O-])cc1
InChIInChI=1S/C9H11N3O2/c10-7-5-8(7)11-9(13)6-1-3-12(14)4-2-6/h1-4,7-8H,5,10H2,(H,11,13)
InChIKeyMDGPDSXTGUZGLV-UHFFFAOYSA-N
XLogP-0.85
TPSA82.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366
N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide
CID 43593768
N-(2-aminocyclopropyl)-3,4-difluorobenzamide
CID 43593845
N-(2-aminocyclopropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43593856
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-(2-aminocyclopropyl)-2-methylbenzamide
CID 43593725
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide
CID 63258076
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide (CID 130890953) is N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide is NC1CC1NC(=O)c1cc[n+]([O-])cc1.
What is the InChIKey of N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is MDGPDSXTGUZGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-7-5-8(7)11-9(13)6-1-3-12(14)4-2-6/h1-4,7-8H,5,10H2,(H,11,13).
What are the key properties of N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide?
N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 193.21 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 130890953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).