dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)

C26H24Cl2MnN4O2 — CID 11455628

IUPACdichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
SMILESCc1ccc(NC(=O)c2ccccn2)cc1.Cc1ccc(NC(=O)c2ccccn2)cc1.Cl[Mn]Cl
InChIInChI=1S/2C13H12N2O.2ClH.Mn/c2*1-10-5-7-11(8-6-10)15-13(16)12-4-2-3-9-14-12;;;/h2*2-9H,1H3,(H,15,16);2*1H;/q;;;;+2/p-2
InChIKeyKVXQKMMGOPZYGI-UHFFFAOYSA-L
MW550.35 g/mol
LogP6.66
Rot. Bonds4

About dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)

dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide) (PubChem CID 11455628) has the molecular formula C26H24Cl2MnN4O2 and a molecular weight of 550.35 g/mol. Its IUPAC name is dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide).

Molecular Properties

Compound Namedichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
PubChem CID11455628
Molecular FormulaC26H24Cl2MnN4O2
Molecular Weight550.35 g/mol
Exact Mass549.07
IUPAC Namedichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
SMILESCc1ccc(NC(=O)c2ccccn2)cc1.Cc1ccc(NC(=O)c2ccccn2)cc1.Cl[Mn]Cl
InChIInChI=1S/2C13H12N2O.2ClH.Mn/c2*1-10-5-7-11(8-6-10)15-13(16)12-4-2-3-9-14-12;;;/h2*2-9H,1H3,(H,15,16);2*1H;/q;;;;+2/p-2
InChIKeyKVXQKMMGOPZYGI-UHFFFAOYSA-L
XLogP6.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.35
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856
(2R)-N-(4-methylphenyl)-2-phenyl-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetamide
CID 26613385
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[4-(methylsulfonylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 146154862
N-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172

Frequently Asked Questions

What is the IUPAC name of dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)?
The IUPAC name of dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide) (CID 11455628) is dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide).
What is the SMILES notation for dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)?
The canonical SMILES for dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide) is Cc1ccc(NC(=O)c2ccccn2)cc1.Cc1ccc(NC(=O)c2ccccn2)cc1.Cl[Mn]Cl.
What is the InChIKey of dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)?
The InChIKey is KVXQKMMGOPZYGI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H12N2O.2ClH.Mn/c2*1-10-5-7-11(8-6-10)15-13(16)12-4-2-3-9-14-12;;;/h2*2-9H,1H3,(H,15,16);2*1H;/q;;;;+2/p-2.
What are the key properties of dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)?
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide) has a molecular weight of 550.35 g/mol, XLogP of 6.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide) is sourced from PubChem (CID 11455628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).