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

C26H30F3N3O5 — CID 135332272

IUPAC6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide
SMILESCCN(c1cc2oc(C(F)(F)F)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C26H30F3N3O5/c1-5-32(16-6-8-36-9-7-16)19-12-21-17(11-22(37-21)26(27,28)29)23(15(19)3)25(34)30-13-18-20(35-4)10-14(2)31-24(18)33/h10-12,16H,5-9,13H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyLECDCPFYHWKXQN-UHFFFAOYSA-N
MW521.54 g/mol
LogP4.70
Rot. Bonds7

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

6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide (PubChem CID 135332272) has the molecular formula C26H30F3N3O5 and a molecular weight of 521.54 g/mol. Its IUPAC name is 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-2-(trifluoromethyl)-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]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide
PubChem CID135332272
Molecular FormulaC26H30F3N3O5
Molecular Weight521.54 g/mol
Exact Mass521.21
IUPAC Name6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide
SMILESCCN(c1cc2oc(C(F)(F)F)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C26H30F3N3O5/c1-5-32(16-6-8-36-9-7-16)19-12-21-17(11-22(37-21)26(27,28)29)23(15(19)3)25(34)30-13-18-20(35-4)10-14(2)31-24(18)33/h10-12,16H,5-9,13H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyLECDCPFYHWKXQN-UHFFFAOYSA-N
XLogP4.70
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.54
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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]-5-methyl-2-(trifluoromethyl)-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]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide (CID 135332272) is 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-2-(trifluoromethyl)-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]-5-methyl-2-(trifluoromethyl)-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]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide is CCN(c1cc2oc(C(F)(F)F)cc2c(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]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide?
The InChIKey is LECDCPFYHWKXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O5/c1-5-32(16-6-8-36-9-7-16)19-12-21-17(11-22(37-21)26(27,28)29)23(15(19)3)25(34)30-13-18-20(35-4)10-14(2)31-24(18)33/h10-12,16H,5-9,13H2,1-4H3,(H,30,34)(H,31,33).
What are the key properties of 6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide?
6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide has a molecular weight of 521.54 g/mol, XLogP of 4.70, 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]-5-methyl-2-(trifluoromethyl)-1-benzofuran-4-carboxamide is sourced from PubChem (CID 135332272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).