3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

C27H28N2O5 — CID 35578892

IUPAC3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2oc3c(C)cc(C)cc3c2C)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C27H28N2O5/c1-16-11-17(2)24-20(12-16)18(3)25(34-24)27(30)29(23-9-7-8-10-28-23)15-19-13-21(31-4)26(33-6)22(14-19)32-5/h7-14H,15H2,1-6H3
InChIKeyBJUIJMQLWQXSQL-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.63
Rot. Bonds7

About 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 35578892) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID35578892
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2oc3c(C)cc(C)cc3c2C)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C27H28N2O5/c1-16-11-17(2)24-20(12-16)18(3)25(34-24)27(30)29(23-9-7-8-10-28-23)15-19-13-21(31-4)26(33-6)22(14-19)32-5/h7-14H,15H2,1-6H3
InChIKeyBJUIJMQLWQXSQL-UHFFFAOYSA-N
XLogP5.63
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 35578892) is 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is COc1cc(CN(C(=O)c2oc3c(C)cc(C)cc3c2C)c2ccccn2)cc(OC)c1OC.
What is the InChIKey of 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is BJUIJMQLWQXSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-16-11-17(2)24-20(12-16)18(3)25(34-24)27(30)29(23-9-7-8-10-28-23)15-19-13-21(31-4)26(33-6)22(14-19)32-5/h7-14H,15H2,1-6H3.
What are the key properties of 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35578892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).