N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide

C16H13N3O2S — CID 7593583

IUPACN-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cccs3)cc2)nn1
InChIInChI=1S/C16H13N3O2S/c1-21-15-9-8-13(18-19-15)11-4-6-12(7-5-11)17-16(20)14-3-2-10-22-14/h2-10H,1H3,(H,17,20)
InChIKeyPFHPSMWKUVBZDF-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds4

About N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide

N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 7593583) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID7593583
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cccs3)cc2)nn1
InChIInChI=1S/C16H13N3O2S/c1-21-15-9-8-13(18-19-15)11-4-6-12(7-5-11)17-16(20)14-3-2-10-22-14/h2-10H,1H3,(H,17,20)
InChIKeyPFHPSMWKUVBZDF-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089392
2-methoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
CID 134803095
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 110725523
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
1-(2-chloro-6-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991272
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide (CID 7593583) is N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide is COc1ccc(-c2ccc(NC(=O)c3cccs3)cc2)nn1.
What is the InChIKey of N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is PFHPSMWKUVBZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-15-9-8-13(18-19-15)11-4-6-12(7-5-11)17-16(20)14-3-2-10-22-14/h2-10H,1H3,(H,17,20).
What are the key properties of N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide?
N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 7593583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).