N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

C22H24N2O5 — CID 163381037

IUPACN-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ncccc1COc1ccc2oc(C)c(C(=O)NC3(CO)CCC3)c2c1
InChIInChI=1S/C22H24N2O5/c1-14-19(20(26)24-22(13-25)8-4-9-22)17-11-16(6-7-18(17)29-14)28-12-15-5-3-10-23-21(15)27-2/h3,5-7,10-11,25H,4,8-9,12-13H2,1-2H3,(H,24,26)
InChIKeyNBWZONCWVGLUOG-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.37
Rot. Bonds7

About N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163381037) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163381037
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ncccc1COc1ccc2oc(C)c(C(=O)NC3(CO)CCC3)c2c1
InChIInChI=1S/C22H24N2O5/c1-14-19(20(26)24-22(13-25)8-4-9-22)17-11-16(6-7-18(17)29-14)28-12-15-5-3-10-23-21(15)27-2/h3,5-7,10-11,25H,4,8-9,12-13H2,1-2H3,(H,24,26)
InChIKeyNBWZONCWVGLUOG-UHFFFAOYSA-N
XLogP3.37
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-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 N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 163381037) is N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is COc1ncccc1COc1ccc2oc(C)c(C(=O)NC3(CO)CCC3)c2c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is NBWZONCWVGLUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-14-19(20(26)24-22(13-25)8-4-9-22)17-11-16(6-7-18(17)29-14)28-12-15-5-3-10-23-21(15)27-2/h3,5-7,10-11,25H,4,8-9,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163381037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).