N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide

C10H13N3O2 — CID 6146722

IUPACN-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
SMILESCCC/C=N\NC(=O)c1cc[n+]([O-])cc1
InChIInChI=1S/C10H13N3O2/c1-2-3-6-11-12-10(14)9-4-7-13(15)8-5-9/h4-8H,2-3H2,1H3,(H,12,14)/b11-6-
InChIKeySHLHEBAUTCRCFQ-WDZFZDKYSA-N
MW207.23 g/mol
LogP0.84
Rot. Bonds4

About N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide

N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 6146722) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID6146722
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
SMILESCCC/C=N\NC(=O)c1cc[n+]([O-])cc1
InChIInChI=1S/C10H13N3O2/c1-2-3-6-11-12-10(14)9-4-7-13(15)8-5-9/h4-8H,2-3H2,1H3,(H,12,14)/b11-6-
InChIKeySHLHEBAUTCRCFQ-WDZFZDKYSA-N
XLogP0.84
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(Z)-butylideneamino]benzamide
CID 6262530
N-[(E)-hexylideneamino]-4-hydroxybenzamide
CID 24749613
N-(butylideneamino)-3-methoxybenzamide
CID 4229837
N-(butylideneamino)-2-chlorobenzamide
CID 4033779
N-(heptylideneamino)-4-nitrobenzamide
CID 4526908
N-(butylideneamino)-5-fluorothiophene-2-carboxamide
CID 171133999
N-[(Z)-butylideneamino]acetamide
CID 6015140
N-[(Z)-propylideneamino]pyridine-4-carboxamide
CID 6119038
N-(butylideneamino)-2-phenoxypropanamide
CID 4633642
propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide
CID 58684890
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide (CID 6146722) is N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide is CCC/C=N\NC(=O)c1cc[n+]([O-])cc1.
What is the InChIKey of N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is SHLHEBAUTCRCFQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-3-6-11-12-10(14)9-4-7-13(15)8-5-9/h4-8H,2-3H2,1H3,(H,12,14)/b11-6-.
What are the key properties of N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide?
N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 6146722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).