methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate

C13H13BrN4O2 — CID 113048068

IUPACmethyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(C)c(Br)c2)nn1
InChIInChI=1S/C13H13BrN4O2/c1-8-3-4-9(7-10(8)14)15-11-5-6-12(18-17-11)16-13(19)20-2/h3-7H,1-2H3,(H,15,17)(H,16,18,19)
InChIKeySHYHJRXFRVNBJW-UHFFFAOYSA-N
MW337.18 g/mol
LogP3.47
Rot. Bonds3

About methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate

methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate (PubChem CID 113048068) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate
PubChem CID113048068
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Namemethyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(C)c(Br)c2)nn1
InChIInChI=1S/C13H13BrN4O2/c1-8-3-4-9(7-10(8)14)15-11-5-6-12(18-17-11)16-13(19)20-2/h3-7H,1-2H3,(H,15,17)(H,16,18,19)
InChIKeySHYHJRXFRVNBJW-UHFFFAOYSA-N
XLogP3.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113048072
methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate
CID 113050861
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide
CID 109110894
1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050196
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113829
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
tert-butyl N-(3-bromo-4-methylphenyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 158687232
N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113019263
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
4-[[6-(3-bromo-4-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192965

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate (CID 113048068) is methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate is COC(=O)Nc1ccc(Nc2ccc(C)c(Br)c2)nn1.
What is the InChIKey of methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate?
The InChIKey is SHYHJRXFRVNBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-8-3-4-9(7-10(8)14)15-11-5-6-12(18-17-11)16-13(19)20-2/h3-7H,1-2H3,(H,15,17)(H,16,18,19).
What are the key properties of methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate?
methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate has a molecular weight of 337.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113048068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).