1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide

C23H28BrN5O3 — CID 144784276

IUPAC1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
SMILESCOc1ccc(Br)cc1-c1ccc(OCc2c(C)cccc2N(C)N)nc1C.NNC=O
InChIInChI=1S/C22H24BrN3O2.CH4N2O/c1-14-6-5-7-20(26(3)24)19(14)13-28-22-11-9-17(15(2)25-22)18-12-16(23)8-10-21(18)27-4;2-3-1-4/h5-12H,13,24H2,1-4H3;1H,2H2,(H,3,4)
InChIKeyILBHPQXRHKWYSL-UHFFFAOYSA-N
MW502.41 g/mol
LogP3.63
Rot. Bonds7

About 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide

1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144784276) has the molecular formula C23H28BrN5O3 and a molecular weight of 502.41 g/mol. Its IUPAC name is 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
PubChem CID144784276
Molecular FormulaC23H28BrN5O3
Molecular Weight502.41 g/mol
Exact Mass501.14
IUPAC Name1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
SMILESCOc1ccc(Br)cc1-c1ccc(OCc2c(C)cccc2N(C)N)nc1C.NNC=O
InChIInChI=1S/C22H24BrN3O2.CH4N2O/c1-14-6-5-7-20(26(3)24)19(14)13-28-22-11-9-17(15(2)25-22)18-12-16(23)8-10-21(18)27-4;2-3-1-4/h5-12H,13,24H2,1-4H3;1H,2H2,(H,3,4)
InChIKeyILBHPQXRHKWYSL-UHFFFAOYSA-N
XLogP3.63
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.41
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine
CID 146633077
formohydrazide;1-[3-methoxy-2-[(2-methyl-4-prop-1-en-2-ylphenoxy)methyl]phenyl]-1-methylhydrazine
CID 144784769
1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 146632622
1-[2-[[4-methoxy-3-(3-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-1-methylhydrazine
CID 146632139
N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide
CID 146632626
1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide
CID 144834427
1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144739226
ethyl 4-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]-3-methyl-2,4-dioxobutanoate;formohydrazide
CID 144820644
1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
CID 139453850
1,3-diamino-1-[2-[[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]urea
CID 146633047
1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 134548036
1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155236368

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide (CID 144784276) is 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide is COc1ccc(Br)cc1-c1ccc(OCc2c(C)cccc2N(C)N)nc1C.NNC=O.
What is the InChIKey of 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is ILBHPQXRHKWYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O2.CH4N2O/c1-14-6-5-7-20(26(3)24)19(14)13-28-22-11-9-17(15(2)25-22)18-12-16(23)8-10-21(18)27-4;2-3-1-4/h5-12H,13,24H2,1-4H3;1H,2H2,(H,3,4).
What are the key properties of 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 502.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144784276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).