3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide

C16H21BrN4O2 — CID 144784046

IUPAC3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
SMILESCNc1cccc(Br)c1COc1nc(C)ccc1C.NNC=O
InChIInChI=1S/C15H17BrN2O.CH4N2O/c1-10-7-8-11(2)18-15(10)19-9-12-13(16)5-4-6-14(12)17-3;2-3-1-4/h4-8,17H,9H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyODTCJZXMCQQPTL-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.69
Rot. Bonds5

About 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide

3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide (PubChem CID 144784046) has the molecular formula C16H21BrN4O2 and a molecular weight of 381.27 g/mol. Its IUPAC name is 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide.

Molecular Properties

Compound Name3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
PubChem CID144784046
Molecular FormulaC16H21BrN4O2
Molecular Weight381.27 g/mol
Exact Mass380.08
IUPAC Name3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
SMILESCNc1cccc(Br)c1COc1nc(C)ccc1C.NNC=O
InChIInChI=1S/C15H17BrN2O.CH4N2O/c1-10-7-8-11(2)18-15(10)19-9-12-13(16)5-4-6-14(12)17-3;2-3-1-4/h4-8,17H,9H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyODTCJZXMCQQPTL-UHFFFAOYSA-N
XLogP2.69
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
CID 144784090
2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
CID 144784037
3-bromo-N-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline;ethane;formohydrazide
CID 144784532
2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784393
1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144784562
2-[(6-ethyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784105
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144784206
3-bromo-2-[(2-ethylphenyl)methoxy]-N-methylaniline;formohydrazide;methane
CID 144838544
3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144783928
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide?
The IUPAC name of 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide (CID 144784046) is 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide.
What is the SMILES notation for 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide?
The canonical SMILES for 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide is CNc1cccc(Br)c1COc1nc(C)ccc1C.NNC=O.
What is the InChIKey of 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide?
The InChIKey is ODTCJZXMCQQPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O.CH4N2O/c1-10-7-8-11(2)18-15(10)19-9-12-13(16)5-4-6-14(12)17-3;2-3-1-4/h4-8,17H,9H2,1-3H3;1H,2H2,(H,3,4).
What are the key properties of 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide?
3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide has a molecular weight of 381.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide is sourced from PubChem (CID 144784046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).