N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide

C21H26N2O3 — CID 139269080

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C21H26N2O3/c1-11-7-13(3)23-20(25)17(11)10-22-19(24)15-8-12(2)18-16(14(15)4)9-21(5,6)26-18/h7-8,17H,9-10H2,1-6H3,(H,22,24)
InChIKeyOYYKVLZZFNKCMI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.31
Rot. Bonds3

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide (PubChem CID 139269080) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide
PubChem CID139269080
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C21H26N2O3/c1-11-7-13(3)23-20(25)17(11)10-22-19(24)15-8-12(2)18-16(14(15)4)9-21(5,6)26-18/h7-8,17H,9-10H2,1-6H3,(H,22,24)
InChIKeyOYYKVLZZFNKCMI-UHFFFAOYSA-N
XLogP3.31
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide (CID 139269080) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C)c2c(c1C)CC(C)(C)O2.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide?
The InChIKey is OYYKVLZZFNKCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-11-7-13(3)23-20(25)17(11)10-22-19(24)15-8-12(2)18-16(14(15)4)9-21(5,6)26-18/h7-8,17H,9-10H2,1-6H3,(H,22,24).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4,7-tetramethyl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 139269080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).