N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide

C16H19BrN4O — CID 109125190

IUPACN-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(Br)cc2)nn1
InChIInChI=1S/C16H19BrN4O/c1-11(2)9-10-18-15-8-7-14(20-21-15)16(22)19-13-5-3-12(17)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyJRIUYGCNRWQSTE-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.95
Rot. Bonds6

About N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide

N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (PubChem CID 109125190) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
PubChem CID109125190
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(Br)cc2)nn1
InChIInChI=1S/C16H19BrN4O/c1-11(2)9-10-18-15-8-7-14(20-21-15)16(22)19-13-5-3-12(17)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyJRIUYGCNRWQSTE-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
N-(4-bromophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111085
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125237
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(4-bromophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247763
N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125187
N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125242
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (CID 109125190) is N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2ccc(Br)cc2)nn1.
What is the InChIKey of N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The InChIKey is JRIUYGCNRWQSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-11(2)9-10-18-15-8-7-14(20-21-15)16(22)19-13-5-3-12(17)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).