1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

C18H24BrN5OS — CID 20947357

IUPAC1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1
InChIInChI=1S/C18H24BrN5OS/c1-23(2)12-9-20-18(25)13-7-10-24(11-8-13)17-6-3-14(21-22-17)15-4-5-16(19)26-15/h3-6,13H,7-12H2,1-2H3,(H,20,25)
InChIKeyCYNCKUUSEQINBL-UHFFFAOYSA-N
MW438.40 g/mol
LogP2.86
Rot. Bonds6

About 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 20947357) has the molecular formula C18H24BrN5OS and a molecular weight of 438.40 g/mol. Its IUPAC name is 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
PubChem CID20947357
Molecular FormulaC18H24BrN5OS
Molecular Weight438.40 g/mol
Exact Mass437.09
IUPAC Name1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1
InChIInChI=1S/C18H24BrN5OS/c1-23(2)12-9-20-18(25)13-7-10-24(11-8-13)17-6-3-14(21-22-17)15-4-5-16(19)26-15/h3-6,13H,7-12H2,1-2H3,(H,20,25)
InChIKeyCYNCKUUSEQINBL-UHFFFAOYSA-N
XLogP2.86
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-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

1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 20947371
ethyl 1-[1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 20947358
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
(3S)-1-[6-(4-bromophenyl)sulfanylpyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 95065879
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
ethyl (3R)-1-[1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]piperidine-3-carboxylate
CID 92715750
N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771294
1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 50783402
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187277
N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025223

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (CID 20947357) is 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1.
What is the InChIKey of 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is CYNCKUUSEQINBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5OS/c1-23(2)12-9-20-18(25)13-7-10-24(11-8-13)17-6-3-14(21-22-17)15-4-5-16(19)26-15/h3-6,13H,7-12H2,1-2H3,(H,20,25).
What are the key properties of 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 438.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 20947357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).