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

C16H19BrN4O — CID 109125333

IUPAC6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2ccccc2Br)nn1
InChIInChI=1S/C16H19BrN4O/c1-11(2)9-10-18-16(22)14-7-8-15(21-20-14)19-13-6-4-3-5-12(13)17/h3-8,11H,9-10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyWFXZZMYQNMRFIJ-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.76
Rot. Bonds6

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

6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide (PubChem CID 109125333) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
PubChem CID109125333
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2ccccc2Br)nn1
InChIInChI=1S/C16H19BrN4O/c1-11(2)9-10-18-16(22)14-7-8-15(21-20-14)19-13-6-4-3-5-12(13)17/h3-8,11H,9-10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyWFXZZMYQNMRFIJ-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121707
6-(2-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110542
6-hydrazinyl-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 62237645
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125292
6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127277
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121261

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide (CID 109125333) is 6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(Nc2ccccc2Br)nn1.
What is the InChIKey of 6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide?
The InChIKey is WFXZZMYQNMRFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-11(2)9-10-18-16(22)14-7-8-15(21-20-14)19-13-6-4-3-5-12(13)17/h3-8,11H,9-10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide?
6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109125333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).