N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide

C26H33N3O4 — CID 139269095

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3C(=O)NC(C)CC3C)c(C)c3c2OC(C)(C)C3)cn1
InChIInChI=1S/C26H33N3O4/c1-14-9-15(2)29-25(31)21(14)13-28-24(30)18-10-19(17-7-8-22(32-6)27-12-17)23-20(16(18)3)11-26(4,5)33-23/h7-8,10,12,14-15,21H,9,11,13H2,1-6H3,(H,28,30)(H,29,31)
InChIKeyQFECIGNGHYTGPD-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.67
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide (PubChem CID 139269095) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide
PubChem CID139269095
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3C(=O)NC(C)CC3C)c(C)c3c2OC(C)(C)C3)cn1
InChIInChI=1S/C26H33N3O4/c1-14-9-15(2)29-25(31)21(14)13-28-24(30)18-10-19(17-7-8-22(32-6)27-12-17)23-20(16(18)3)11-26(4,5)33-23/h7-8,10,12,14-15,21H,9,11,13H2,1-6H3,(H,28,30)(H,29,31)
InChIKeyQFECIGNGHYTGPD-UHFFFAOYSA-N
XLogP3.67
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide (CID 139269095) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide is COc1ccc(-c2cc(C(=O)NCC3C(=O)NC(C)CC3C)c(C)c3c2OC(C)(C)C3)cn1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide?
The InChIKey is QFECIGNGHYTGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-14-9-15(2)29-25(31)21(14)13-28-24(30)18-10-19(17-7-8-22(32-6)27-12-17)23-20(16(18)3)11-26(4,5)33-23/h7-8,10,12,14-15,21H,9,11,13H2,1-6H3,(H,28,30)(H,29,31).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 139269095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).