N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide

C24H22N2O4 — CID 58146220

IUPACN-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
SMILESCc1ccc(Oc2cc(C(=O)Nc3cccc(C(C)O)n3)cc3oc(C)cc23)cc1
InChIInChI=1S/C24H22N2O4/c1-14-7-9-18(10-8-14)30-22-13-17(12-21-19(22)11-15(2)29-21)24(28)26-23-6-4-5-20(25-23)16(3)27/h4-13,16,27H,1-3H3,(H,25,26,28)
InChIKeyFWFRWDUQXNXVKN-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.54
Rot. Bonds5

About N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide

N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide (PubChem CID 58146220) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
PubChem CID58146220
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
SMILESCc1ccc(Oc2cc(C(=O)Nc3cccc(C(C)O)n3)cc3oc(C)cc23)cc1
InChIInChI=1S/C24H22N2O4/c1-14-7-9-18(10-8-14)30-22-13-17(12-21-19(22)11-15(2)29-21)24(28)26-23-6-4-5-20(25-23)16(3)27/h4-13,16,27H,1-3H3,(H,25,26,28)
InChIKeyFWFRWDUQXNXVKN-UHFFFAOYSA-N
XLogP5.54
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 157263368
N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
CID 58146262
N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 162197358
2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 90665737
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 158889038
2-N,2-N-dimethyl-4-(4-methylphenoxy)-6-N-(2-methyltriazol-4-yl)-1-benzofuran-2,6-dicarboxamide;sulfur dioxide
CID 158269151
4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide
CID 59560085
2-ethyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 59559979
2-(difluoromethyl)-N-(1-methylpyrazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 66756511
2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide
CID 58146158
2-ethyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxylic acid;sulfur dioxide
CID 162056840
N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
CID 166039814

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide?
The IUPAC name of N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide (CID 58146220) is N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide?
The canonical SMILES for N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide is Cc1ccc(Oc2cc(C(=O)Nc3cccc(C(C)O)n3)cc3oc(C)cc23)cc1.
What is the InChIKey of N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide?
The InChIKey is FWFRWDUQXNXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-14-7-9-18(10-8-14)30-22-13-17(12-21-19(22)11-15(2)29-21)24(28)26-23-6-4-5-20(25-23)16(3)27/h4-13,16,27H,1-3H3,(H,25,26,28).
What are the key properties of N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide?
N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 58146220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).