cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate

C14H18CoN4O4 — CID 135484834

IUPACcobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate
SMILESCOc1cccc(/C=N/NC(N)=O)c1O.O.[Co].c1ccncc1
InChIInChI=1S/C9H11N3O3.C5H5N.Co.H2O/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;1-2-4-6-5-3-1;;/h2-5,13H,1H3,(H3,10,12,14);1-5H;;1H2/b11-5+;;;
InChIKeyRGXXLXLPBHBOPL-WVYPJBOLSA-N
MW365.26 g/mol
LogP0.66
Rot. Bonds3

About cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate

cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate (PubChem CID 135484834) has the molecular formula C14H18CoN4O4 and a molecular weight of 365.26 g/mol. Its IUPAC name is cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate.

Molecular Properties

Compound Namecobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate
PubChem CID135484834
Molecular FormulaC14H18CoN4O4
Molecular Weight365.26 g/mol
Exact Mass365.07
IUPAC Namecobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate
SMILESCOc1cccc(/C=N/NC(N)=O)c1O.O.[Co].c1ccncc1
InChIInChI=1S/C9H11N3O3.C5H5N.Co.H2O/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;1-2-4-6-5-3-1;;/h2-5,13H,1H3,(H3,10,12,14);1-5H;;1H2/b11-5+;;;
InChIKeyRGXXLXLPBHBOPL-WVYPJBOLSA-N
XLogP0.66
TPSA141.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
CID 50910692
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
CID 50911188
(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
CID 137275710
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylpyridine-4-carboxamide
CID 146020487
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 136663475
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 948077
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849

Frequently Asked Questions

What is the IUPAC name of cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate?
The IUPAC name of cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate (CID 135484834) is cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate.
What is the SMILES notation for cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate?
The canonical SMILES for cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate is COc1cccc(/C=N/NC(N)=O)c1O.O.[Co].c1ccncc1.
What is the InChIKey of cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate?
The InChIKey is RGXXLXLPBHBOPL-WVYPJBOLSA-N. The full InChI is InChI=1S/C9H11N3O3.C5H5N.Co.H2O/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;1-2-4-6-5-3-1;;/h2-5,13H,1H3,(H3,10,12,14);1-5H;;1H2/b11-5+;;;.
What are the key properties of cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate?
cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate has a molecular weight of 365.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate is sourced from PubChem (CID 135484834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).