N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

C20H19ClN4OS — CID 20947206

IUPACN-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H19ClN4OS/c21-15-3-1-4-16(13-15)22-20(26)14-8-10-25(11-9-14)19-7-6-17(23-24-19)18-5-2-12-27-18/h1-7,12-14H,8-11H2,(H,22,26)
InChIKeySBKZLMXFKIEFGU-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.71
Rot. Bonds4

About N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 20947206) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID20947206
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC NameN-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H19ClN4OS/c21-15-3-1-4-16(13-15)22-20(26)14-8-10-25(11-9-14)19-7-6-17(23-24-19)18-5-2-12-27-18/h1-7,12-14H,8-11H2,(H,22,26)
InChIKeySBKZLMXFKIEFGU-UHFFFAOYSA-N
XLogP4.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-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-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364155
N-(3,5-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947260
N-(4-nitrophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364097
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-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947338
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071786
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364184
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170437
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-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 20947206) is N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is SBKZLMXFKIEFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c21-15-3-1-4-16(13-15)22-20(26)14-8-10-25(11-9-14)19-7-6-17(23-24-19)18-5-2-12-27-18/h1-7,12-14H,8-11H2,(H,22,26).
What are the key properties of N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20947206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).