6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide

C19H17BrN4O — CID 109127280

IUPAC6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
SMILESCc1cc(Br)ccc1Nc1ccc(C(=O)N(C)c2ccccc2)nn1
InChIInChI=1S/C19H17BrN4O/c1-13-12-14(20)8-9-16(13)21-18-11-10-17(22-23-18)19(25)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,23)
InChIKeyOUBCBFZSADTMCP-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.57
Rot. Bonds4

About 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide

6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide (PubChem CID 109127280) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
PubChem CID109127280
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
SMILESCc1cc(Br)ccc1Nc1ccc(C(=O)N(C)c2ccccc2)nn1
InChIInChI=1S/C19H17BrN4O/c1-13-12-14(20)8-9-16(13)21-18-11-10-17(22-23-18)19(25)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,23)
InChIKeyOUBCBFZSADTMCP-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127277
6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126617
ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127291
1-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]-3-phenylurea
CID 113050162
N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide
CID 113050148
6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127276
6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432
N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide
CID 109127275
6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356508
2-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195124
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide (CID 109127280) is 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide is Cc1cc(Br)ccc1Nc1ccc(C(=O)N(C)c2ccccc2)nn1.
What is the InChIKey of 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
The InChIKey is OUBCBFZSADTMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-12-14(20)8-9-16(13)21-18-11-10-17(22-23-18)19(25)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,23).
What are the key properties of 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide?
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109127280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).