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

C16H13ClN4O2S — CID 113047904

IUPACN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3cccs3)nn2)cc1Cl
InChIInChI=1S/C16H13ClN4O2S/c1-23-12-5-4-10(9-11(12)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-24-13/h2-9H,1H3,(H,18,20)(H,19,21,22)
InChIKeyOOAVVNFBWGQILZ-UHFFFAOYSA-N
MW360.83 g/mol
LogP4.20
Rot. Bonds5

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

N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113047904) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113047904
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC NameN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3cccs3)nn2)cc1Cl
InChIInChI=1S/C16H13ClN4O2S/c1-23-12-5-4-10(9-11(12)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-24-13/h2-9H,1H3,(H,18,20)(H,19,21,22)
InChIKeyOOAVVNFBWGQILZ-UHFFFAOYSA-N
XLogP4.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047768
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047822
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866426
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-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050818
N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113029060

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide (CID 113047904) is N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide is COc1ccc(Nc2ccc(NC(=O)c3cccs3)nn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is OOAVVNFBWGQILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-23-12-5-4-10(9-11(12)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-24-13/h2-9H,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 360.83 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113047904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).