N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide

C16H14N4O2S — CID 113048189

IUPACN-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccs3)nn2)c1
InChIInChI=1S/C16H14N4O2S/c1-22-12-5-2-4-11(10-12)17-14-7-8-15(20-19-14)18-16(21)13-6-3-9-23-13/h2-10H,1H3,(H,17,19)(H,18,20,21)
InChIKeySNYBPRUQMTWTSG-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.54
Rot. Bonds5

About N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide

N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113048189) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113048189
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccs3)nn2)c1
InChIInChI=1S/C16H14N4O2S/c1-22-12-5-2-4-11(10-12)17-14-7-8-15(20-19-14)18-16(21)13-6-3-9-23-13/h2-10H,1H3,(H,17,19)(H,18,20,21)
InChIKeySNYBPRUQMTWTSG-UHFFFAOYSA-N
XLogP3.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113019386
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113046423
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251
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-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262
1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048242
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047822
1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 8000996
N-[6-(3-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048182

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide (CID 113048189) is N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide is COc1cccc(Nc2ccc(NC(=O)c3cccs3)nn2)c1.
What is the InChIKey of N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is SNYBPRUQMTWTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-12-5-2-4-11(10-12)17-14-7-8-15(20-19-14)18-16(21)13-6-3-9-23-13/h2-10H,1H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113048189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).