5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide

C19H18N4O3S — CID 126940065

IUPAC5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2COCC2n2nc(-c3cccnc3)ccc2=O)s1
InChIInChI=1S/C19H18N4O3S/c1-12-4-6-17(27-12)19(25)21-15-10-26-11-16(15)23-18(24)7-5-14(22-23)13-3-2-8-20-9-13/h2-9,15-16H,10-11H2,1H3,(H,21,25)
InChIKeyIEEOOSWATJEKQU-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.05
Rot. Bonds4

About 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide

5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide (PubChem CID 126940065) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
PubChem CID126940065
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2COCC2n2nc(-c3cccnc3)ccc2=O)s1
InChIInChI=1S/C19H18N4O3S/c1-12-4-6-17(27-12)19(25)21-15-10-26-11-16(15)23-18(24)7-5-14(22-23)13-3-2-8-20-9-13/h2-9,15-16H,10-11H2,1H3,(H,21,25)
InChIKeyIEEOOSWATJEKQU-UHFFFAOYSA-N
XLogP2.05
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940035
7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 126940070
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126938917
6-pyridin-3-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940106
N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyrazine-2-carboxamide
CID 126939844
6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940172
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940207
1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide
CID 126940083
2-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940102

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide (CID 126940065) is 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2COCC2n2nc(-c3cccnc3)ccc2=O)s1.
What is the InChIKey of 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide?
The InChIKey is IEEOOSWATJEKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-4-6-17(27-12)19(25)21-15-10-26-11-16(15)23-18(24)7-5-14(22-23)13-3-2-8-20-9-13/h2-9,15-16H,10-11H2,1H3,(H,21,25).
What are the key properties of 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide?
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 126940065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).