5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide

C20H21N3O4 — CID 55823376

IUPAC5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)Nc3ccc(N4CCOCC4)cn3)c2c1
InChIInChI=1S/C20H21N3O4/c1-13-19(16-11-15(25-2)4-5-17(16)27-13)20(24)22-18-6-3-14(12-21-18)23-7-9-26-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,24)
InChIKeyJJDJMLUVPTZUTB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.23
Rot. Bonds4

About 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide

5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide (PubChem CID 55823376) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide
PubChem CID55823376
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)Nc3ccc(N4CCOCC4)cn3)c2c1
InChIInChI=1S/C20H21N3O4/c1-13-19(16-11-15(25-2)4-5-17(16)27-13)20(24)22-18-6-3-14(12-21-18)23-7-9-26-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,24)
InChIKeyJJDJMLUVPTZUTB-UHFFFAOYSA-N
XLogP3.23
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide (CID 55823376) is 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)Nc3ccc(N4CCOCC4)cn3)c2c1.
What is the InChIKey of 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide?
The InChIKey is JJDJMLUVPTZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-19(16-11-15(25-2)4-5-17(16)27-13)20(24)22-18-6-3-14(12-21-18)23-7-9-26-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,24).
What are the key properties of 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide?
5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 55823376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).