N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

C18H18N4OS — CID 113046581

IUPACN-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(Nc2ccc(NC(=O)Cc3cccs3)nn2)c1C
InChIInChI=1S/C18H18N4OS/c1-12-5-3-7-15(13(12)2)19-16-8-9-17(22-21-16)20-18(23)11-14-6-4-10-24-14/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyPVPPNICQLIHQEK-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.08
Rot. Bonds5

About N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide

N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 113046581) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID113046581
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(Nc2ccc(NC(=O)Cc3cccs3)nn2)c1C
InChIInChI=1S/C18H18N4OS/c1-12-5-3-7-15(13(12)2)19-16-8-9-17(22-21-16)20-18(23)11-14-6-4-10-24-14/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyPVPPNICQLIHQEK-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050922
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113051329
2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048973
N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113038208
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
CID 113045581
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113017744

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide (CID 113046581) is N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is Cc1cccc(Nc2ccc(NC(=O)Cc3cccs3)nn2)c1C.
What is the InChIKey of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is PVPPNICQLIHQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-5-3-7-15(13(12)2)19-16-8-9-17(22-21-16)20-18(23)11-14-6-4-10-24-14/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide?
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 338.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113046581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).