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

C20H22N2O3 — CID 31441477

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C20H22N2O3/c1-3-4-10-18-16(14-8-5-6-11-17(14)25-18)13-22(2)20(24)15-9-7-12-21-19(15)23/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,23)
InChIKeyJTMFZNSNKJHKMZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.74
Rot. Bonds6

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

N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 31441477) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID31441477
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C20H22N2O3/c1-3-4-10-18-16(14-8-5-6-11-17(14)25-18)13-22(2)20(24)15-9-7-12-21-19(15)23/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,23)
InChIKeyJTMFZNSNKJHKMZ-UHFFFAOYSA-N
XLogP3.74
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 31441477) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JTMFZNSNKJHKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-4-10-18-16(14-8-5-6-11-17(14)25-18)13-22(2)20(24)15-9-7-12-21-19(15)23/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 31441477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).