N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

C20H22N2O5 — CID 176877102

IUPACN-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ncccc1COc1ccc2oc(C)c(C(=O)NC(C)CO)c2c1
InChIInChI=1S/C20H22N2O5/c1-12(10-23)22-19(24)18-13(2)27-17-7-6-15(9-16(17)18)26-11-14-5-4-8-21-20(14)25-3/h4-9,12,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyWUHHOAIXQXHJOK-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.83
Rot. Bonds7

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

N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 176877102) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID176877102
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ncccc1COc1ccc2oc(C)c(C(=O)NC(C)CO)c2c1
InChIInChI=1S/C20H22N2O5/c1-12(10-23)22-19(24)18-13(2)27-17-7-6-15(9-16(17)18)26-11-14-5-4-8-21-20(14)25-3/h4-9,12,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyWUHHOAIXQXHJOK-UHFFFAOYSA-N
XLogP2.83
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163381037
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(difluoromethyl)-3-pyridinyl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163380991
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
ethyl 5-[(2-chloro-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 163380731
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480641
2-methyl-5-phenylmethoxy-N-pyridazin-3-yl-1-benzofuran-3-carboxamide
CID 163379719
2-methyl-N-(1H-pyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380491
5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 55839775
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380698
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide
CID 163380303
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380697

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 176877102) is N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is COc1ncccc1COc1ccc2oc(C)c(C(=O)NC(C)CO)c2c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is WUHHOAIXQXHJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12(10-23)22-19(24)18-13(2)27-17-7-6-15(9-16(17)18)26-11-14-5-4-8-21-20(14)25-3/h4-9,12,23H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 176877102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).