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

C21H24N4O4 — CID 126930585

IUPAC7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC3CCCCN3c3ccc(=O)n(C)n3)oc12
InChIInChI=1S/C21H24N4O4/c1-24-19(26)10-9-18(23-24)25-11-4-3-7-15(25)13-22-21(27)17-12-14-6-5-8-16(28-2)20(14)29-17/h5-6,8-10,12,15H,3-4,7,11,13H2,1-2H3,(H,22,27)
InChIKeyIBUQYGHOESKMKZ-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.32
Rot. Bonds5

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

7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 126930585) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID126930585
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC3CCCCN3c3ccc(=O)n(C)n3)oc12
InChIInChI=1S/C21H24N4O4/c1-24-19(26)10-9-18(23-24)25-11-4-3-7-15(25)13-22-21(27)17-12-14-6-5-8-16(28-2)20(14)29-17/h5-6,8-10,12,15H,3-4,7,11,13H2,1-2H3,(H,22,27)
InChIKeyIBUQYGHOESKMKZ-UHFFFAOYSA-N
XLogP2.32
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 126930585) is 7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCC3CCCCN3c3ccc(=O)n(C)n3)oc12.
What is the InChIKey of 7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is IBUQYGHOESKMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-24-19(26)10-9-18(23-24)25-11-4-3-7-15(25)13-22-21(27)17-12-14-6-5-8-16(28-2)20(14)29-17/h5-6,8-10,12,15H,3-4,7,11,13H2,1-2H3,(H,22,27).
What are the key properties of 7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126930585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).