6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide

C18H15BrN4O — CID 109127277

IUPAC6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccccc2Br)nn1)c1ccccc1
InChIInChI=1S/C18H15BrN4O/c1-23(13-7-3-2-4-8-13)18(24)16-11-12-17(22-21-16)20-15-10-6-5-9-14(15)19/h2-12H,1H3,(H,20,22)
InChIKeyCUQMYQSGBWVLFP-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.26
Rot. Bonds4

About 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide

6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide (PubChem CID 109127277) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
PubChem CID109127277
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccccc2Br)nn1)c1ccccc1
InChIInChI=1S/C18H15BrN4O/c1-23(13-7-3-2-4-8-13)18(24)16-11-12-17(22-21-16)20-15-10-6-5-9-14(15)19/h2-12H,1H3,(H,20,22)
InChIKeyCUQMYQSGBWVLFP-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127280
ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127291
N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide
CID 109127275
6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127276
6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121707
6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125333
6-(2-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110542
[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126106
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
N-methyl-N-phenyl-6-propan-2-ylpyridazine-3-carboxamide
CID 113200408
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide (CID 109127277) is 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide is CN(C(=O)c1ccc(Nc2ccccc2Br)nn1)c1ccccc1.
What is the InChIKey of 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
The InChIKey is CUQMYQSGBWVLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-23(13-7-3-2-4-8-13)18(24)16-11-12-17(22-21-16)20-15-10-6-5-9-14(15)19/h2-12H,1H3,(H,20,22).
What are the key properties of 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109127277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).