6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide

C15H17BrN4OS — CID 133339191

IUPAC6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC(C)Sc2ccc(Br)cc2)nn1
InChIInChI=1S/C15H17BrN4OS/c1-10(22-12-5-3-11(16)4-6-12)9-18-14-8-7-13(19-20-14)15(21)17-2/h3-8,10H,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyLBSGYABFTNWEJW-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.19
Rot. Bonds6

About 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide

6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133339191) has the molecular formula C15H17BrN4OS and a molecular weight of 381.30 g/mol. Its IUPAC name is 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133339191
Molecular FormulaC15H17BrN4OS
Molecular Weight381.30 g/mol
Exact Mass380.03
IUPAC Name6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC(C)Sc2ccc(Br)cc2)nn1
InChIInChI=1S/C15H17BrN4OS/c1-10(22-12-5-3-11(16)4-6-12)9-18-14-8-7-13(19-20-14)15(21)17-2/h3-8,10H,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyLBSGYABFTNWEJW-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111085
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
6-[2-[cyclopropyl(methyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 103718448
6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide
CID 133340200
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide
CID 133397231
N-[2-(4-bromophenyl)sulfanylpropyl]pyrimidin-2-amine
CID 133296537
N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782383
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
CID 103858516
N-methyl-6-[(2-methyl-3-morpholin-4-ylpropyl)amino]pyridazine-3-carboxamide
CID 133340039
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide (CID 133339191) is 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCC(C)Sc2ccc(Br)cc2)nn1.
What is the InChIKey of 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is LBSGYABFTNWEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4OS/c1-10(22-12-5-3-11(16)4-6-12)9-18-14-8-7-13(19-20-14)15(21)17-2/h3-8,10H,9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide?
6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenyl)sulfanylpropylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133339191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).