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

C20H24N2O3 — CID 139269079

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1ccc2c(c1C)CC(C)(C)O2
InChIInChI=1S/C20H24N2O3/c1-11-8-12(2)22-19(24)16(11)10-21-18(23)14-6-7-17-15(13(14)3)9-20(4,5)25-17/h6-8,16H,9-10H2,1-5H3,(H,21,23)
InChIKeyPMZICRRIWOXINN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.00
Rot. Bonds3

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide (PubChem CID 139269079) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide
PubChem CID139269079
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1ccc2c(c1C)CC(C)(C)O2
InChIInChI=1S/C20H24N2O3/c1-11-8-12(2)22-19(24)16(11)10-21-18(23)14-6-7-17-15(13(14)3)9-20(4,5)25-17/h6-8,16H,9-10H2,1-5H3,(H,21,23)
InChIKeyPMZICRRIWOXINN-UHFFFAOYSA-N
XLogP3.00
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.00
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-trimethyl-3H-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide (CID 139269079) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-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-trimethyl-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1ccc2c(c1C)CC(C)(C)O2.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide?
The InChIKey is PMZICRRIWOXINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-11-8-12(2)22-19(24)16(11)10-21-18(23)14-6-7-17-15(13(14)3)9-20(4,5)25-17/h6-8,16H,9-10H2,1-5H3,(H,21,23).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2,2,4-trimethyl-3H-1-benzofuran-5-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.00, 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-trimethyl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 139269079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).