N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

C17H13N5OS — CID 113051329

IUPACN-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)Cc3cccs3)nn2)cc1
InChIInChI=1S/C17H13N5OS/c18-11-12-3-5-13(6-4-12)19-15-7-8-16(22-21-15)20-17(23)10-14-2-1-9-24-14/h1-9H,10H2,(H,19,21)(H,20,22,23)
InChIKeyFSVQPZIXHZCVNZ-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.33
Rot. Bonds5

About N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 113051329) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID113051329
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)Cc3cccs3)nn2)cc1
InChIInChI=1S/C17H13N5OS/c18-11-12-3-5-13(6-4-12)19-15-7-8-16(22-21-15)20-17(23)10-14-2-1-9-24-14/h1-9H,10H2,(H,19,21)(H,20,22,23)
InChIKeyFSVQPZIXHZCVNZ-UHFFFAOYSA-N
XLogP3.33
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048973
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051334
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113046581
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050922
N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113038208
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
CID 79503473
4-tert-butyl-N-[6-(4-cyanoanilino)pyridazin-3-yl]benzamide
CID 113051326

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (CID 113051329) is N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is N#Cc1ccc(Nc2ccc(NC(=O)Cc3cccs3)nn2)cc1.
What is the InChIKey of N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is FSVQPZIXHZCVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c18-11-12-3-5-13(6-4-12)19-15-7-8-16(22-21-15)20-17(23)10-14-2-1-9-24-14/h1-9H,10H2,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 335.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113051329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).