N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide

C11H9N3O3 — CID 6899147

IUPACN-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1ccc[n+]([O-])c1
InChIInChI=1S/C11H9N3O3/c15-11(9-3-1-5-14(16)8-9)13-12-7-10-4-2-6-17-10/h1-8H,(H,13,15)/b12-7+
InChIKeyZNZZIWXJRIEQEU-KPKJPENVSA-N
MW231.21 g/mol
LogP0.68
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide (PubChem CID 6899147) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide
PubChem CID6899147
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1ccc[n+]([O-])c1
InChIInChI=1S/C11H9N3O3/c15-11(9-3-1-5-14(16)8-9)13-12-7-10-4-2-6-17-10/h1-8H,(H,13,15)/b12-7+
InChIKeyZNZZIWXJRIEQEU-KPKJPENVSA-N
XLogP0.68
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide
CID 163138567
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522943
3-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 5435136

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide (CID 6899147) is N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide is O=C(N/N=C/c1ccco1)c1ccc[n+]([O-])c1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide?
The InChIKey is ZNZZIWXJRIEQEU-KPKJPENVSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-11(9-3-1-5-14(16)8-9)13-12-7-10-4-2-6-17-10/h1-8H,(H,13,15)/b12-7+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide is sourced from PubChem (CID 6899147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).