ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate

C14H15BrN4O2 — CID 113050137

IUPACethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C)cc2Br)nn1
InChIInChI=1S/C14H15BrN4O2/c1-3-21-14(20)17-13-7-6-12(18-19-13)16-11-5-4-9(2)8-10(11)15/h4-8H,3H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyVWHCWLRKZKFXBX-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.86
Rot. Bonds4

About ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate

ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate (PubChem CID 113050137) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate
PubChem CID113050137
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Nameethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C)cc2Br)nn1
InChIInChI=1S/C14H15BrN4O2/c1-3-21-14(20)17-13-7-6-12(18-19-13)16-11-5-4-9(2)8-10(11)15/h4-8H,3H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyVWHCWLRKZKFXBX-UHFFFAOYSA-N
XLogP3.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113050128
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115475
ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
CID 113044300
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061
6-(2-bromo-4-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29032205
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
CID 113046269
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate (CID 113050137) is ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate is CCOC(=O)Nc1ccc(Nc2ccc(C)cc2Br)nn1.
What is the InChIKey of ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate?
The InChIKey is VWHCWLRKZKFXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-3-21-14(20)17-13-7-6-12(18-19-13)16-11-5-4-9(2)8-10(11)15/h4-8H,3H2,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate?
ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate has a molecular weight of 351.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113050137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).