N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide

C11H11N3O2 — CID 162446305

IUPACN-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide
SMILESO=C(Nn1ccc2ccc[n+]([O-])c21)C1CC1
InChIInChI=1S/C11H11N3O2/c15-10(8-3-4-8)12-13-7-5-9-2-1-6-14(16)11(9)13/h1-2,5-8H,3-4H2,(H,12,15)
InChIKeyZNDQKXNUPXJAKN-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.75
Rot. Bonds2

About N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide

N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide (PubChem CID 162446305) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide
PubChem CID162446305
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide
SMILESO=C(Nn1ccc2ccc[n+]([O-])c21)C1CC1
InChIInChI=1S/C11H11N3O2/c15-10(8-3-4-8)12-13-7-5-9-2-1-6-14(16)11(9)13/h1-2,5-8H,3-4H2,(H,12,15)
InChIKeyZNDQKXNUPXJAKN-UHFFFAOYSA-N
XLogP0.75
TPSA60.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
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-pyrrolo[2,3-b]pyridin-1-ylcyclopropanecarboxamide
CID 163598022
(3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 15983786
1-N,4-N-bis(benzotriazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722340
N-oxidocyclopropanecarboxamide
CID 15413548
1-(4-acetylphenyl)sulfonyl-N-(3-indol-1-ylpropyl)piperidine-4-carboxamide
CID 55349126
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide
CID 79526551
N-[(3aR,4R,7R,7aS)-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]cyclopropanecarboxamide
CID 6554138
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105

Frequently Asked Questions

What is the IUPAC name of N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide?
The IUPAC name of N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide (CID 162446305) is N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide is O=C(Nn1ccc2ccc[n+]([O-])c21)C1CC1.
What is the InChIKey of N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide?
The InChIKey is ZNDQKXNUPXJAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10(8-3-4-8)12-13-7-5-9-2-1-6-14(16)11(9)13/h1-2,5-8H,3-4H2,(H,12,15).
What are the key properties of N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide?
N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxidopyrrolo[2,3-b]pyridin-7-ium-1-yl)cyclopropanecarboxamide is sourced from PubChem (CID 162446305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).