N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide

C16H13ClN4OS — CID 113047768

IUPACN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccs3)nn2)cc1Cl
InChIInChI=1S/C16H13ClN4OS/c1-10-4-5-11(9-12(10)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-23-13/h2-9H,1H3,(H,18,20)(H,19,21,22)
InChIKeyLSSDSZDOJRGMAB-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.50
Rot. Bonds4

About N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113047768) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113047768
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccs3)nn2)cc1Cl
InChIInChI=1S/C16H13ClN4OS/c1-10-4-5-11(9-12(10)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-23-13/h2-9H,1H3,(H,18,20)(H,19,21,22)
InChIKeyLSSDSZDOJRGMAB-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
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-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050818
ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
CID 113050437
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
CID 113047763
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047782

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide (CID 113047768) is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide is Cc1ccc(Nc2ccc(NC(=O)c3cccs3)nn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is LSSDSZDOJRGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c1-10-4-5-11(9-12(10)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-23-13/h2-9H,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 344.83 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113047768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).