N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide

C17H19BrN4O — CID 109112196

IUPACN-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC3CCCC3)nn2)cc1Br
InChIInChI=1S/C17H19BrN4O/c1-11-6-7-13(10-14(11)18)20-17(23)15-8-9-16(22-21-15)19-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,19,22)(H,20,23)
InChIKeyOLPWISSGPNKXIE-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.15
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide

N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide (PubChem CID 109112196) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
PubChem CID109112196
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC3CCCC3)nn2)cc1Br
InChIInChI=1S/C17H19BrN4O/c1-11-6-7-13(10-14(11)18)20-17(23)15-8-9-16(22-21-15)19-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,19,22)(H,20,23)
InChIKeyOLPWISSGPNKXIE-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)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-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
6-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109112976
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109935
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113829
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122798
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109109943

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide (CID 109112196) is N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NC3CCCC3)nn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide?
The InChIKey is OLPWISSGPNKXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-11-6-7-13(10-14(11)18)20-17(23)15-8-9-16(22-21-15)19-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide?
N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109112196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).