4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide

C18H23BrN4O2S — CID 126937766

IUPAC4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(=O)n(CCN2CCCCC2CNC(=O)c2cc(Br)cs2)n1
InChIInChI=1S/C18H23BrN4O2S/c1-13-5-6-17(24)23(21-13)9-8-22-7-3-2-4-15(22)11-20-18(25)16-10-14(19)12-26-16/h5-6,10,12,15H,2-4,7-9,11H2,1H3,(H,20,25)
InChIKeyVZRKZMCWPFVSSF-UHFFFAOYSA-N
MW439.38 g/mol
LogP2.66
Rot. Bonds6

About 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide

4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 126937766) has the molecular formula C18H23BrN4O2S and a molecular weight of 439.38 g/mol. Its IUPAC name is 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide
PubChem CID126937766
Molecular FormulaC18H23BrN4O2S
Molecular Weight439.38 g/mol
Exact Mass438.07
IUPAC Name4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(=O)n(CCN2CCCCC2CNC(=O)c2cc(Br)cs2)n1
InChIInChI=1S/C18H23BrN4O2S/c1-13-5-6-17(24)23(21-13)9-8-22-7-3-2-4-15(22)11-20-18(25)16-10-14(19)12-26-16/h5-6,10,12,15H,2-4,7-9,11H2,1H3,(H,20,25)
InChIKeyVZRKZMCWPFVSSF-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-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

4-methyl-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126937638
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193700
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]pyrazine-2-carboxamide
CID 126937610
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide
CID 126937660
6-methyl-2-[2-[2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937746
2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937730
2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937686
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937711
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 126937807
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126937798
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 126937849
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 126937418

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide (CID 126937766) is 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide is Cc1ccc(=O)n(CCN2CCCCC2CNC(=O)c2cc(Br)cs2)n1.
What is the InChIKey of 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is VZRKZMCWPFVSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O2S/c1-13-5-6-17(24)23(21-13)9-8-22-7-3-2-4-15(22)11-20-18(25)16-10-14(19)12-26-16/h5-6,10,12,15H,2-4,7-9,11H2,1H3,(H,20,25).
What are the key properties of 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide?
4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 439.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 126937766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).