N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

C20H18Cl2N4OS — CID 30364155

IUPACN-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H18Cl2N4OS/c21-14-3-4-15(22)17(12-14)23-20(27)13-7-9-26(10-8-13)19-6-5-16(24-25-19)18-2-1-11-28-18/h1-6,11-13H,7-10H2,(H,23,27)
InChIKeyAVEOVCQCYOHKGA-UHFFFAOYSA-N
MW433.36 g/mol
LogP5.37
Rot. Bonds4

About N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30364155) has the molecular formula C20H18Cl2N4OS and a molecular weight of 433.36 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30364155
Molecular FormulaC20H18Cl2N4OS
Molecular Weight433.36 g/mol
Exact Mass432.06
IUPAC NameN-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H18Cl2N4OS/c21-14-3-4-15(22)17(12-14)23-20(27)13-7-9-26(10-8-13)19-6-5-16(24-25-19)18-2-1-11-28-18/h1-6,11-13H,7-10H2,(H,23,27)
InChIKeyAVEOVCQCYOHKGA-UHFFFAOYSA-N
XLogP5.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.36
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)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

N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947206
N-(3,5-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947260
N-[(4-chlorophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947209
N-(2,3-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947220
N-(4-methyl-2-pyridinyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947252
N-(4-nitrophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364097
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071795
N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947338
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364184
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071786
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46340074

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30364155) is N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is AVEOVCQCYOHKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4OS/c21-14-3-4-15(22)17(12-14)23-20(27)13-7-9-26(10-8-13)19-6-5-16(24-25-19)18-2-1-11-28-18/h1-6,11-13H,7-10H2,(H,23,27).
What are the key properties of N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 433.36 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30364155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).