methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate

C15H16BrN3O4 — CID 133303243

IUPACmethyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNc2cnn(C)c(=O)c2Br)ccc1OC
InChIInChI=1S/C15H16BrN3O4/c1-19-14(20)13(16)11(8-18-19)17-7-9-4-5-12(22-2)10(6-9)15(21)23-3/h4-6,8,17H,7H2,1-3H3
InChIKeyWWSWKFBLCSNREZ-UHFFFAOYSA-N
MW382.21 g/mol
LogP1.95
Rot. Bonds5

About methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate

methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate (PubChem CID 133303243) has the molecular formula C15H16BrN3O4 and a molecular weight of 382.21 g/mol. Its IUPAC name is methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate
PubChem CID133303243
Molecular FormulaC15H16BrN3O4
Molecular Weight382.21 g/mol
Exact Mass381.03
IUPAC Namemethyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNc2cnn(C)c(=O)c2Br)ccc1OC
InChIInChI=1S/C15H16BrN3O4/c1-19-14(20)13(16)11(8-18-19)17-7-9-4-5-12(22-2)10(6-9)15(21)23-3/h4-6,8,17H,7H2,1-3H3
InChIKeyWWSWKFBLCSNREZ-UHFFFAOYSA-N
XLogP1.95
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate with MolForge

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Related Compounds

4-bromo-5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpyridazin-3-one
CID 133303379
4-bromo-5-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]-2-methylpyridazin-3-one
CID 133303550
4-bromo-5-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 133303824
4-bromo-2-methyl-5-[(4-propan-2-yloxyphenyl)methylamino]pyridazin-3-one
CID 133303288
4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one
CID 133303079
3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133303380
1-[3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]phenyl]-3-(3-methylphenyl)urea
CID 133303650
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-5-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]-2-methylpyridazin-3-one
CID 133303737
4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one
CID 133303721
methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate
CID 9112911
N-[3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133303678

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate (CID 133303243) is methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNc2cnn(C)c(=O)c2Br)ccc1OC.
What is the InChIKey of methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate?
The InChIKey is WWSWKFBLCSNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O4/c1-19-14(20)13(16)11(8-18-19)17-7-9-4-5-12(22-2)10(6-9)15(21)23-3/h4-6,8,17H,7H2,1-3H3.
What are the key properties of methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate?
methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate has a molecular weight of 382.21 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 133303243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).