4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide

C10H9N5O3 — CID 5412442

IUPAC4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccncc2)no[n+]1[O-]
InChIInChI=1S/C10H9N5O3/c1-7-9(14-18-15(7)17)10(16)13-12-6-8-2-4-11-5-3-8/h2-6H,1H3,(H,13,16)/b12-6-
InChIKeySDQUNAFSIDLUPB-SDQBBNPISA-N
MW247.21 g/mol
LogP-0.22
Rot. Bonds3

About 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide

4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide (PubChem CID 5412442) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide.

Molecular Properties

Compound Name4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide
PubChem CID5412442
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccncc2)no[n+]1[O-]
InChIInChI=1S/C10H9N5O3/c1-7-9(14-18-15(7)17)10(16)13-12-6-8-2-4-11-5-3-8/h2-6H,1H3,(H,13,16)/b12-6-
InChIKeySDQUNAFSIDLUPB-SDQBBNPISA-N
XLogP-0.22
TPSA107.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5393857
N-[(E)-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylideneamino]pyridine-3-carboxamide
CID 57393166
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 3699372
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
2-chloro-4-methyl-N-(pyridin-4-ylmethylideneamino)benzamide
CID 71952051
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
CID 903030
1-methyl-4-nitro-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
CID 6873023
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-N-[(E)-pyridin-4-ylmethylideneamino]-2H-triazol-1-ium-4-carboxamide chloride
CID 135911141

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide?
The IUPAC name of 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide (CID 5412442) is 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide.
What is the SMILES notation for 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide?
The canonical SMILES for 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide is Cc1c(C(=O)N/N=C\c2ccncc2)no[n+]1[O-].
What is the InChIKey of 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide?
The InChIKey is SDQUNAFSIDLUPB-SDQBBNPISA-N. The full InChI is InChI=1S/C10H9N5O3/c1-7-9(14-18-15(7)17)10(16)13-12-6-8-2-4-11-5-3-8/h2-6H,1H3,(H,13,16)/b12-6-.
What are the key properties of 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide?
4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide has a molecular weight of 247.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxido-N-[(Z)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazol-5-ium-3-carboxamide is sourced from PubChem (CID 5412442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).