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

C26H33N3O5 — CID 135332326

IUPAC6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide
SMILESCCN(c1cc2occ(C)c2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C26H33N3O5/c1-6-29(18-7-9-33-10-8-18)20-12-22-23(15(2)14-34-22)24(17(20)4)26(31)27-13-19-21(32-5)11-16(3)28-25(19)30/h11-12,14,18H,6-10,13H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyZTOAAMOSOKIAKY-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.99
Rot. Bonds7

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

6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide (PubChem CID 135332326) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide
PubChem CID135332326
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide
SMILESCCN(c1cc2occ(C)c2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C26H33N3O5/c1-6-29(18-7-9-33-10-8-18)20-12-22-23(15(2)14-34-22)24(17(20)4)26(31)27-13-19-21(32-5)11-16(3)28-25(19)30/h11-12,14,18H,6-10,13H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyZTOAAMOSOKIAKY-UHFFFAOYSA-N
XLogP3.99
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide?
The IUPAC name of 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide (CID 135332326) is 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide.
What is the SMILES notation for 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide?
The canonical SMILES for 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide is CCN(c1cc2occ(C)c2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.
What is the InChIKey of 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide?
The InChIKey is ZTOAAMOSOKIAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-6-29(18-7-9-33-10-8-18)20-12-22-23(15(2)14-34-22)24(17(20)4)26(31)27-13-19-21(32-5)11-16(3)28-25(19)30/h11-12,14,18H,6-10,13H2,1-5H3,(H,27,31)(H,28,30).
What are the key properties of 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide?
6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3,5-dimethyl-1-benzofuran-4-carboxamide is sourced from PubChem (CID 135332326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).