7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide

C20H22N4O4 — CID 126930301

IUPAC7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC3CCCCN3c3ccc(=O)[nH]n3)oc12
InChIInChI=1S/C20H22N4O4/c1-27-15-7-4-5-13-11-16(28-19(13)15)20(26)21-12-14-6-2-3-10-24(14)17-8-9-18(25)23-22-17/h4-5,7-9,11,14H,2-3,6,10,12H2,1H3,(H,21,26)(H,23,25)
InChIKeyYIUDZPLGOJVTPF-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.31
Rot. Bonds5

About 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 126930301) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID126930301
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC3CCCCN3c3ccc(=O)[nH]n3)oc12
InChIInChI=1S/C20H22N4O4/c1-27-15-7-4-5-13-11-16(28-19(13)15)20(26)21-12-14-6-2-3-10-24(14)17-8-9-18(25)23-22-17/h4-5,7-9,11,14H,2-3,6,10,12H2,1H3,(H,21,26)(H,23,25)
InChIKeyYIUDZPLGOJVTPF-UHFFFAOYSA-N
XLogP2.31
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 126930301) is 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCC3CCCCN3c3ccc(=O)[nH]n3)oc12.
What is the InChIKey of 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is YIUDZPLGOJVTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-27-15-7-4-5-13-11-16(28-19(13)15)20(26)21-12-14-6-2-3-10-24(14)17-8-9-18(25)23-22-17/h4-5,7-9,11,14H,2-3,6,10,12H2,1H3,(H,21,26)(H,23,25).
What are the key properties of 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126930301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).