manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium

C14H14MnN3O3+3 — CID 50910170

IUPACmanganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
SMILESCOc1cccc(C=NNC(=O)c2ccncc2)c1[OH2+].[Mn+2]
InChIInChI=1S/C14H13N3O3.Mn/c1-20-12-4-2-3-11(13(12)18)9-16-17-14(19)10-5-7-15-8-6-10;/h2-9,18H,1H3,(H,17,19);/q;+2/p+1
InChIKeyUDXMATMLMDOXAK-UHFFFAOYSA-O
MW327.22 g/mol
LogP1.29
Rot. Bonds4

About manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium

manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium (PubChem CID 50910170) has the molecular formula C14H14MnN3O3+3 and a molecular weight of 327.22 g/mol. Its IUPAC name is manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium.

Molecular Properties

Compound Namemanganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
PubChem CID50910170
Molecular FormulaC14H14MnN3O3+3
Molecular Weight327.22 g/mol
Exact Mass327.04
IUPAC Namemanganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
SMILESCOc1cccc(C=NNC(=O)c2ccncc2)c1[OH2+].[Mn+2]
InChIInChI=1S/C14H13N3O3.Mn/c1-20-12-4-2-3-11(13(12)18)9-16-17-14(19)10-5-7-15-8-6-10;/h2-9,18H,1H3,(H,17,19);/q;+2/p+1
InChIKeyUDXMATMLMDOXAK-UHFFFAOYSA-O
XLogP1.29
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
CID 50910692
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 9015092
[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
CID 50911188
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 758167
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
[2-methoxy-6-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 6138569
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136661357
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940

Frequently Asked Questions

What is the IUPAC name of manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium?
The IUPAC name of manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium (CID 50910170) is manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium.
What is the SMILES notation for manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium?
The canonical SMILES for manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium is COc1cccc(C=NNC(=O)c2ccncc2)c1[OH2+].[Mn+2].
What is the InChIKey of manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium?
The InChIKey is UDXMATMLMDOXAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13N3O3.Mn/c1-20-12-4-2-3-11(13(12)18)9-16-17-14(19)10-5-7-15-8-6-10;/h2-9,18H,1H3,(H,17,19);/q;+2/p+1.
What are the key properties of manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium?
manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium has a molecular weight of 327.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium is sourced from PubChem (CID 50910170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).