1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine

C17H20BrN3O — CID 134548036

IUPAC1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
SMILESCc1nc(OCc2c(C3CC3)cccc2N(C)N)ccc1Br
InChIInChI=1S/C17H20BrN3O/c1-11-15(18)8-9-17(20-11)22-10-14-13(12-6-7-12)4-3-5-16(14)21(2)19/h3-5,8-9,12H,6-7,10,19H2,1-2H3
InChIKeyZZDQPOFZKUVRLZ-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine

1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine (PubChem CID 134548036) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
PubChem CID134548036
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
SMILESCc1nc(OCc2c(C3CC3)cccc2N(C)N)ccc1Br
InChIInChI=1S/C17H20BrN3O/c1-11-15(18)8-9-17(20-11)22-10-14-13(12-6-7-12)4-3-5-16(14)21(2)19/h3-5,8-9,12H,6-7,10,19H2,1-2H3
InChIKeyZZDQPOFZKUVRLZ-UHFFFAOYSA-N
XLogP3.92
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 134293404
1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144784323
1,3-diamino-1-[3-cyclopropyl-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]urea
CID 134548027
1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144784206
1,3-diamino-1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-3-methylurea
CID 134547989
1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 144934022
methyl N-[2-[(2-bromo-4,5-dimethylphenoxy)methyl]-3-cyclopropylphenyl]-N-hydroxycarbamate
CID 129038845
1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144784276
3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol
CID 118078728
4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol
CID 129110010
1-methyl-1-[3-methyl-2-[(6-thiophen-3-yl-2-pyridinyl)oxymethyl]phenyl]hydrazine
CID 144739143
2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate
CID 59544536

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine (CID 134548036) is 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine is Cc1nc(OCc2c(C3CC3)cccc2N(C)N)ccc1Br.
What is the InChIKey of 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
The InChIKey is ZZDQPOFZKUVRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11-15(18)8-9-17(20-11)22-10-14-13(12-6-7-12)4-3-5-16(14)21(2)19/h3-5,8-9,12H,6-7,10,19H2,1-2H3.
What are the key properties of 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine has a molecular weight of 362.27 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine is sourced from PubChem (CID 134548036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).