N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide

C17H16N4OS — CID 113046423

IUPACN-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(NC(=O)c3cccs3)nn2)c1
InChIInChI=1S/C17H16N4OS/c1-11-8-12(2)10-13(9-11)18-15-5-6-16(21-20-15)19-17(22)14-4-3-7-23-14/h3-10H,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyAQFDLKJKXZOUJU-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.15
Rot. Bonds4

About N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide

N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113046423) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113046423
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(NC(=O)c3cccs3)nn2)c1
InChIInChI=1S/C17H16N4OS/c1-11-8-12(2)10-13(9-11)18-15-5-6-16(21-20-15)19-17(22)14-4-3-7-23-14/h3-10H,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyAQFDLKJKXZOUJU-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047768
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
CID 113050437
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047822
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050818
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046442
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944
N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041166

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide (CID 113046423) is N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide is Cc1cc(C)cc(Nc2ccc(NC(=O)c3cccs3)nn2)c1.
What is the InChIKey of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is AQFDLKJKXZOUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-8-12(2)10-13(9-11)18-15-5-6-16(21-20-15)19-17(22)14-4-3-7-23-14/h3-10H,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113046423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).