4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide

C21H21F2N3O4 — CID 175480263

IUPAC4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccc[nH]c3=O)c(C3CNCCC3(F)F)c2c1C(N)=O
InChIInChI=1S/C21H21F2N3O4/c1-11-16(19(24)27)18-15(30-11)5-4-14(29-10-12-3-2-7-26-20(12)28)17(18)13-9-25-8-6-21(13,22)23/h2-5,7,13,25H,6,8-10H2,1H3,(H2,24,27)(H,26,28)
InChIKeyKSDYTSKTNMZKHF-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.82
Rot. Bonds5

About 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide

4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 175480263) has the molecular formula C21H21F2N3O4 and a molecular weight of 417.41 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID175480263
Molecular FormulaC21H21F2N3O4
Molecular Weight417.41 g/mol
Exact Mass417.15
IUPAC Name4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccc[nH]c3=O)c(C3CNCCC3(F)F)c2c1C(N)=O
InChIInChI=1S/C21H21F2N3O4/c1-11-16(19(24)27)18-15(30-11)5-4-14(29-10-12-3-2-7-26-20(12)28)17(18)13-9-25-8-6-21(13,22)23/h2-5,7,13,25H,6,8-10H2,1H3,(H2,24,27)(H,26,28)
InChIKeyKSDYTSKTNMZKHF-UHFFFAOYSA-N
XLogP2.82
TPSA110.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,5-difluoropiperidin-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 175480621
N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380842
4-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(3-methyltriazol-4-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480370
N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380544
4-(3,3-difluoropiperidin-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-2,3-dicarboxamide
CID 175480364
4-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 175480674
4-[3-(hydroxymethyl)oxolan-3-yl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 175480519
4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide
CID 175486671
4-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 175480244
4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 175480277
4-(3-carbamoyloxetan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480533
4-chloro-N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 169222061

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide (CID 175480263) is 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccc[nH]c3=O)c(C3CNCCC3(F)F)c2c1C(N)=O.
What is the InChIKey of 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is KSDYTSKTNMZKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4/c1-11-16(19(24)27)18-15(30-11)5-4-14(29-10-12-3-2-7-26-20(12)28)17(18)13-9-25-8-6-21(13,22)23/h2-5,7,13,25H,6,8-10H2,1H3,(H2,24,27)(H,26,28).
What are the key properties of 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?
4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).