N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide

C18H17N3O4 — CID 126938758

IUPACN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(=O)n(C2COCC2NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C18H17N3O4/c1-11-6-7-17(22)21(20-11)14-10-24-9-13(14)19-18(23)16-8-12-4-2-3-5-15(12)25-16/h2-8,13-14H,9-10H2,1H3,(H,19,23)
InChIKeyXWIODOHWVQPHES-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.67
Rot. Bonds3

About N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide

N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 126938758) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
PubChem CID126938758
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(=O)n(C2COCC2NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C18H17N3O4/c1-11-6-7-17(22)21(20-11)14-10-24-9-13(14)19-18(23)16-8-12-4-2-3-5-15(12)25-16/h2-8,13-14H,9-10H2,1H3,(H,19,23)
InChIKeyXWIODOHWVQPHES-UHFFFAOYSA-N
XLogP1.67
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940035
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]furan-2-carboxamide
CID 126938757
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 126938763
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide
CID 126938783
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126938917
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 126938938
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126938910
7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
N-(2-fluorocyclopentyl)-1-benzofuran-2-carboxamide
CID 126857780

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide (CID 126938758) is N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide is Cc1ccc(=O)n(C2COCC2NC(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is XWIODOHWVQPHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-6-7-17(22)21(20-11)14-10-24-9-13(14)19-18(23)16-8-12-4-2-3-5-15(12)25-16/h2-8,13-14H,9-10H2,1H3,(H,19,23).
What are the key properties of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126938758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).