cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide

C24H19CoN5O2 — CID 134883032

IUPACcobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide
SMILESCc1ccncc1.O=C([N-]c1ccccc1[N-]C(=O)c1ccccn1)c1ccccn1.[Co+2]
InChIInChI=1S/C18H14N4O2.C6H7N.Co/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16;1-6-2-4-7-5-3-6;/h1-12H,(H2,19,20,21,22,23,24);2-5H,1H3;/q;;+2/p-2
InChIKeyWZBWVDYIGRZMLK-UHFFFAOYSA-L
MW468.38 g/mol
LogP5.56
Rot. Bonds4

About cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide

cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide (PubChem CID 134883032) has the molecular formula C24H19CoN5O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide.

Molecular Properties

Compound Namecobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide
PubChem CID134883032
Molecular FormulaC24H19CoN5O2
Molecular Weight468.38 g/mol
Exact Mass468.09
IUPAC Namecobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide
SMILESCc1ccncc1.O=C([N-]c1ccccc1[N-]C(=O)c1ccccn1)c1ccccn1.[Co+2]
InChIInChI=1S/C18H14N4O2.C6H7N.Co/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16;1-6-2-4-7-5-3-6;/h1-12H,(H2,19,20,21,22,23,24);2-5H,1H3;/q;;+2/p-2
InChIKeyWZBWVDYIGRZMLK-UHFFFAOYSA-L
XLogP5.56
TPSA101.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide?
The IUPAC name of cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide (CID 134883032) is cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide.
What is the SMILES notation for cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide?
The canonical SMILES for cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide is Cc1ccncc1.O=C([N-]c1ccccc1[N-]C(=O)c1ccccn1)c1ccccn1.[Co+2].
What is the InChIKey of cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide?
The InChIKey is WZBWVDYIGRZMLK-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H14N4O2.C6H7N.Co/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16;1-6-2-4-7-5-3-6;/h1-12H,(H2,19,20,21,22,23,24);2-5H,1H3;/q;;+2/p-2.
What are the key properties of cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide?
cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide has a molecular weight of 468.38 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);4-methylpyridine;pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide is sourced from PubChem (CID 134883032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).