N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C25H24N2O3 — CID 55759840

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C25H24N2O3/c1-4-22-20(18-10-5-6-11-23(18)30-22)15-27(3)25(29)19-12-13-21(26-24(19)28)17-9-7-8-16(2)14-17/h5-14H,4,15H2,1-3H3,(H,26,28)
InChIKeyAWUZOEXMUGXKTM-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.93
Rot. Bonds5

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 55759840) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID55759840
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C25H24N2O3/c1-4-22-20(18-10-5-6-11-23(18)30-22)15-27(3)25(29)19-12-13-21(26-24(19)28)17-9-7-8-16(2)14-17/h5-14H,4,15H2,1-3H3,(H,26,28)
InChIKeyAWUZOEXMUGXKTM-UHFFFAOYSA-N
XLogP4.93
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 55759840) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AWUZOEXMUGXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-4-22-20(18-10-5-6-11-23(18)30-22)15-27(3)25(29)19-12-13-21(26-24(19)28)17-9-7-8-16(2)14-17/h5-14H,4,15H2,1-3H3,(H,26,28).
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55759840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).