2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine

C17H18N7O2+ — CID 46877408

IUPAC2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
SMILESCc1ccc2n(C)c(-c3ccc(/C=N/N=C(\N)N[N+](=O)[O-])cc3)c[n+]2c1
InChIInChI=1S/C17H18N7O2/c1-12-3-8-16-22(2)15(11-23(16)10-12)14-6-4-13(5-7-14)9-19-20-17(18)21-24(25)26/h3-11H,1-2H3,(H3,18,20,21)/q+1/b19-9+
InChIKeySUDDMZSGEUEDPD-DJKKODMXSA-N
MW352.38 g/mol
LogP1.17
Rot. Bonds4

About 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine

2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine (PubChem CID 46877408) has the molecular formula C17H18N7O2+ and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine.

Molecular Properties

Compound Name2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
PubChem CID46877408
Molecular FormulaC17H18N7O2+
Molecular Weight352.38 g/mol
Exact Mass352.15
IUPAC Name2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
SMILESCc1ccc2n(C)c(-c3ccc(/C=N/N=C(\N)N[N+](=O)[O-])cc3)c[n+]2c1
InChIInChI=1S/C17H18N7O2/c1-12-3-8-16-22(2)15(11-23(16)10-12)14-6-4-13(5-7-14)9-19-20-17(18)21-24(25)26/h3-11H,1-2H3,(H3,18,20,21)/q+1/b19-9+
InChIKeySUDDMZSGEUEDPD-DJKKODMXSA-N
XLogP1.17
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
CID 172952986
2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide
CID 172923247
2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
CID 172986443
amino-[[(2Z)-2-[[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]azanium
CID 136795330
2-[(E)-[4-[(E)-2-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
CID 53323024
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
CID 6076678
methyl N'-[(E)-[4-(6-ethylsulfanyl-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]carbamimidothioate
CID 172941457
N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide
CID 5487999
(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide
CID 54611300
1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
CID 171376890
1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine?
The IUPAC name of 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine (CID 46877408) is 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine.
What is the SMILES notation for 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine?
The canonical SMILES for 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine is Cc1ccc2n(C)c(-c3ccc(/C=N/N=C(\N)N[N+](=O)[O-])cc3)c[n+]2c1.
What is the InChIKey of 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine?
The InChIKey is SUDDMZSGEUEDPD-DJKKODMXSA-N. The full InChI is InChI=1S/C17H18N7O2/c1-12-3-8-16-22(2)15(11-23(16)10-12)14-6-4-13(5-7-14)9-19-20-17(18)21-24(25)26/h3-11H,1-2H3,(H3,18,20,21)/q+1/b19-9+.
What are the key properties of 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine?
2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine has a molecular weight of 352.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine is sourced from PubChem (CID 46877408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).