2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide

C32H42F2N4O5 — CID 135332345

IUPAC2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide
SMILESCCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCC(F)(F)CC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
InChIInChI=1S/C32H42F2N4O5/c1-5-23-26(38(6-2)21-7-13-42-14-8-21)17-28-24(16-22(43-28)19-37-11-9-32(33,34)10-12-37)29(23)31(40)35-18-25-27(41-4)15-20(3)36-30(25)39/h15-17,21H,5-14,18-19H2,1-4H3,(H,35,40)(H,36,39)
InChIKeyNUWFSMXIXJJAKT-UHFFFAOYSA-N
MW600.71 g/mol
LogP5.17
Rot. Bonds10

About 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide

2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide (PubChem CID 135332345) has the molecular formula C32H42F2N4O5 and a molecular weight of 600.71 g/mol. Its IUPAC name is 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide
PubChem CID135332345
Molecular FormulaC32H42F2N4O5
Molecular Weight600.71 g/mol
Exact Mass600.31
IUPAC Name2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide
SMILESCCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCC(F)(F)CC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
InChIInChI=1S/C32H42F2N4O5/c1-5-23-26(38(6-2)21-7-13-42-14-8-21)17-28-24(16-22(43-28)19-37-11-9-32(33,34)10-12-37)29(23)31(40)35-18-25-27(41-4)15-20(3)36-30(25)39/h15-17,21H,5-14,18-19H2,1-4H3,(H,35,40)(H,36,39)
InChIKeyNUWFSMXIXJJAKT-UHFFFAOYSA-N
XLogP5.17
TPSA100.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.71
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide?
The IUPAC name of 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide (CID 135332345) is 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide is CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCC(F)(F)CC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O.
What is the InChIKey of 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide?
The InChIKey is NUWFSMXIXJJAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42F2N4O5/c1-5-23-26(38(6-2)21-7-13-42-14-8-21)17-28-24(16-22(43-28)19-37-11-9-32(33,34)10-12-37)29(23)31(40)35-18-25-27(41-4)15-20(3)36-30(25)39/h15-17,21H,5-14,18-19H2,1-4H3,(H,35,40)(H,36,39).
What are the key properties of 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide?
2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide has a molecular weight of 600.71 g/mol, XLogP of 5.17, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 135332345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).