manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide

C26H18MnN4O4 — CID 11364151

IUPACmanganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide
SMILESCOC(=O)c1ccccc1-c1ccc([N-]C(=O)c2ccccn2)c([N-]C(=O)c2ccccn2)c1.[Mn+2]
InChIInChI=1S/C26H20N4O4.Mn/c1-34-26(33)19-9-3-2-8-18(19)17-12-13-20(29-24(31)21-10-4-6-14-27-21)23(16-17)30-25(32)22-11-5-7-15-28-22;/h2-16H,1H3,(H2,27,28,29,30,31,32,33);/q;+2/p-2
InChIKeyTXLRLIUMQFMATA-UHFFFAOYSA-L
MW505.39 g/mol
LogP5.62
Rot. Bonds6

About manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide

manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide (PubChem CID 11364151) has the molecular formula C26H18MnN4O4 and a molecular weight of 505.39 g/mol. Its IUPAC name is manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide.

Molecular Properties

Compound Namemanganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide
PubChem CID11364151
Molecular FormulaC26H18MnN4O4
Molecular Weight505.39 g/mol
Exact Mass505.07
IUPAC Namemanganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide
SMILESCOC(=O)c1ccccc1-c1ccc([N-]C(=O)c2ccccn2)c([N-]C(=O)c2ccccn2)c1.[Mn+2]
InChIInChI=1S/C26H20N4O4.Mn/c1-34-26(33)19-9-3-2-8-18(19)17-12-13-20(29-24(31)21-10-4-6-14-27-21)23(16-17)30-25(32)22-11-5-7-15-28-22;/h2-16H,1H3,(H2,27,28,29,30,31,32,33);/q;+2/p-2
InChIKeyTXLRLIUMQFMATA-UHFFFAOYSA-L
XLogP5.62
TPSA114.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.39
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide
CID 134883032
methyl 2-triphenylen-2-ylbenzoate
CID 142724319
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 2-(1-phenylisoquinolin-4-yl)benzoate
CID 147957016
methyl 2-(3-nitrophenyl)benzoate
CID 11708670
methyl 2-(2-oxo-3-phenyl-5-pyridin-2-yl-1H-pyridin-4-yl)benzoate
CID 91528400
methyl 2-[4-[(pyridin-2-ylamino)methyl]phenyl]benzenecarboperoxoate
CID 58657334
methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 12789660
methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 139944293
methyl 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 174727553
methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
CID 6417972
methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
CID 142384414

Frequently Asked Questions

What is the IUPAC name of manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide?
The IUPAC name of manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide (CID 11364151) is manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide.
What is the SMILES notation for manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide?
The canonical SMILES for manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide is COC(=O)c1ccccc1-c1ccc([N-]C(=O)c2ccccn2)c([N-]C(=O)c2ccccn2)c1.[Mn+2].
What is the InChIKey of manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide?
The InChIKey is TXLRLIUMQFMATA-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H20N4O4.Mn/c1-34-26(33)19-9-3-2-8-18(19)17-12-13-20(29-24(31)21-10-4-6-14-27-21)23(16-17)30-25(32)22-11-5-7-15-28-22;/h2-16H,1H3,(H2,27,28,29,30,31,32,33);/q;+2/p-2.
What are the key properties of manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide?
manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide has a molecular weight of 505.39 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);[4-(2-methoxycarbonylphenyl)-2-(pyridine-2-carbonylazanidyl)phenyl]-(pyridine-2-carbonyl)azanide is sourced from PubChem (CID 11364151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).