6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide

C15H17BrN4O — CID 109111313

IUPAC6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-10(2)9-17-15(21)13-6-7-14(20-19-13)18-12-5-3-4-11(16)8-12/h3-8,10H,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyRNTNXWGMCQAXIU-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.37
Rot. Bonds5

About 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide

6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide (PubChem CID 109111313) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
PubChem CID109111313
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-10(2)9-17-15(21)13-6-7-14(20-19-13)18-12-5-3-4-11(16)8-12/h3-8,10H,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyRNTNXWGMCQAXIU-UHFFFAOYSA-N
XLogP3.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[6-(2-methylpropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109111297
6-anilino-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111240
6-(3-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110543
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111343
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125292
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079716
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide (CID 109111313) is 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide is CC(C)CNC(=O)c1ccc(Nc2cccc(Br)c2)nn1.
What is the InChIKey of 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The InChIKey is RNTNXWGMCQAXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10(2)9-17-15(21)13-6-7-14(20-19-13)18-12-5-3-4-11(16)8-12/h3-8,10H,9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109111313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).