6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide

C22H25N3O4 — CID 137206665

IUPAC6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccnc(OC)c2)oc2cc(O)cc(CN3CCCCC3)c12
InChIInChI=1S/C22H25N3O4/c1-23-22(27)20-19-15(13-25-8-4-3-5-9-25)10-16(26)12-17(19)29-21(20)14-6-7-24-18(11-14)28-2/h6-7,10-12,26H,3-5,8-9,13H2,1-2H3,(H,23,27)
InChIKeyYZUCDEBYWKPUOS-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.55
Rot. Bonds5

About 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide

6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 137206665) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID137206665
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccnc(OC)c2)oc2cc(O)cc(CN3CCCCC3)c12
InChIInChI=1S/C22H25N3O4/c1-23-22(27)20-19-15(13-25-8-4-3-5-9-25)10-16(26)12-17(19)29-21(20)14-6-7-24-18(11-14)28-2/h6-7,10-12,26H,3-5,8-9,13H2,1-2H3,(H,23,27)
InChIKeyYZUCDEBYWKPUOS-UHFFFAOYSA-N
XLogP3.55
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide (CID 137206665) is 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccnc(OC)c2)oc2cc(O)cc(CN3CCCCC3)c12.
What is the InChIKey of 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is YZUCDEBYWKPUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-23-22(27)20-19-15(13-25-8-4-3-5-9-25)10-16(26)12-17(19)29-21(20)14-6-7-24-18(11-14)28-2/h6-7,10-12,26H,3-5,8-9,13H2,1-2H3,(H,23,27).
What are the key properties of 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-methoxy-4-pyridinyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 137206665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).