N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide

C20H21N5OS — CID 133313428

IUPACN-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(Cc3cccs3)CC2)nn1
InChIInChI=1S/C20H21N5OS/c26-20(21-16-5-2-1-3-6-16)18-8-9-19(23-22-18)25-12-10-24(11-13-25)15-17-7-4-14-27-17/h1-9,14H,10-13,15H2,(H,21,26)
InChIKeyVQXBTKIZCSBINV-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.11
Rot. Bonds5

About N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide

N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 133313428) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID133313428
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(Cc3cccs3)CC2)nn1
InChIInChI=1S/C20H21N5OS/c26-20(21-16-5-2-1-3-6-16)18-8-9-19(23-22-18)25-12-10-24(11-13-25)15-17-7-4-14-27-17/h1-9,14H,10-13,15H2,(H,21,26)
InChIKeyVQXBTKIZCSBINV-UHFFFAOYSA-N
XLogP3.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-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-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313399
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109124061
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
N-phenyl-6-(thiophen-2-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134807442
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 46042185
(E)-3-phenyl-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]prop-2-enamide
CID 42857400

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 133313428) is N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(N2CCN(Cc3cccs3)CC2)nn1.
What is the InChIKey of N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is VQXBTKIZCSBINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-20(21-16-5-2-1-3-6-16)18-8-9-19(23-22-18)25-12-10-24(11-13-25)15-17-7-4-14-27-17/h1-9,14H,10-13,15H2,(H,21,26).
What are the key properties of N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133313428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).