5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide

C23H24F2N2O5 — CID 163380506

IUPAC5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ncccc3C(F)F)cc2c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C23H24F2N2O5/c1-14-20(22(29)27-23(13-28)6-9-30-10-7-23)17-11-15(4-5-19(17)32-14)31-12-18-16(21(24)25)3-2-8-26-18/h2-5,8,11,21,28H,6-7,9-10,12-13H2,1H3,(H,27,29)
InChIKeySMEOENAAVNJYNO-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.92
Rot. Bonds7

About 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide

5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163380506) has the molecular formula C23H24F2N2O5 and a molecular weight of 446.45 g/mol. Its IUPAC name is 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163380506
Molecular FormulaC23H24F2N2O5
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC Name5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ncccc3C(F)F)cc2c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C23H24F2N2O5/c1-14-20(22(29)27-23(13-28)6-9-30-10-7-23)17-11-15(4-5-19(17)32-14)31-12-18-16(21(24)25)3-2-8-26-18/h2-5,8,11,21,28H,6-7,9-10,12-13H2,1H3,(H,27,29)
InChIKeySMEOENAAVNJYNO-UHFFFAOYSA-N
XLogP3.92
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-Methoxy-2-pyridin-3-ylmethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11088627
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)benzofuran-3-carboxamide
CID 44251240
1-[4-(Azetidin-1-ylmethyl)-5-hydroxy-2-(5-hydroxy-2-pyridinyl)-1-benzofuran-3-yl]ethanone
CID 166626960
(3-Fluoroazetidin-1-yl)-[5-hydroxy-2-(5-hydroxy-2-pyridinyl)-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanone
CID 166627310
1-[5-Hydroxy-2-(5-hydroxy-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]ethanone
CID 166628545
Azetidin-1-yl-[5-hydroxy-2-(5-hydroxy-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanone
CID 166629076
1-[4-(Azetidin-1-ylmethyl)-5-hydroxy-2-(5-hydroxy-4-methyl-2-pyridinyl)-1-benzofuran-3-yl]ethanone
CID 166631230
Azetidin-1-yl-[5-hydroxy-2-(5-hydroxy-2-pyridinyl)-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanone
CID 166633346
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(3-pyridin-2-yloxetan-3-yl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 57381863
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-(4-pyridin-3-yloxyphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118586421
5-hydroxy-2-(5-hydroxy-2-pyridinyl)-N-methyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 166633462

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide (CID 163380506) is 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ncccc3C(F)F)cc2c1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is SMEOENAAVNJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O5/c1-14-20(22(29)27-23(13-28)6-9-30-10-7-23)17-11-15(4-5-19(17)32-14)31-12-18-16(21(24)25)3-2-8-26-18/h2-5,8,11,21,28H,6-7,9-10,12-13H2,1H3,(H,27,29).
What are the key properties of 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide?
5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).