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

C22H18N4O4 — CID 126940035

IUPACN-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1COCC1n1nc(-c2cccnc2)ccc1=O)c1cc2ccccc2o1
InChIInChI=1S/C22H18N4O4/c27-21-8-7-16(15-5-3-9-23-11-15)25-26(21)18-13-29-12-17(18)24-22(28)20-10-14-4-1-2-6-19(14)30-20/h1-11,17-18H,12-13H2,(H,24,28)
InChIKeyUJPSFCSXGFAEIY-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.42
Rot. Bonds4

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

N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 126940035) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
PubChem CID126940035
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC NameN-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1COCC1n1nc(-c2cccnc2)ccc1=O)c1cc2ccccc2o1
InChIInChI=1S/C22H18N4O4/c27-21-8-7-16(15-5-3-9-23-11-15)25-26(21)18-13-29-12-17(18)24-22(28)20-10-14-4-1-2-6-19(14)30-20/h1-11,17-18H,12-13H2,(H,24,28)
InChIKeyUJPSFCSXGFAEIY-UHFFFAOYSA-N
XLogP2.42
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126938758
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126940065
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 126940070
N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyrazine-2-carboxamide
CID 126939844
6-pyridin-3-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940106
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide
CID 126940248
6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940172
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 126938938
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
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940207

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide (CID 126940035) is N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide is O=C(NC1COCC1n1nc(-c2cccnc2)ccc1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is UJPSFCSXGFAEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c27-21-8-7-16(15-5-3-9-23-11-15)25-26(21)18-13-29-12-17(18)24-22(28)20-10-14-4-1-2-6-19(14)30-20/h1-11,17-18H,12-13H2,(H,24,28).
What are the key properties of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126940035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).