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

C19H20N2O3 — CID 32695433

IUPAC3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
SMILESCc1cc(C)c(CNC(=O)CCc2cc3ccccc3o2)c(=O)[nH]1
InChIInChI=1S/C19H20N2O3/c1-12-9-13(2)21-19(23)16(12)11-20-18(22)8-7-15-10-14-5-3-4-6-17(14)24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAKRJGSVTBZBCGE-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.99
Rot. Bonds5

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

3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide (PubChem CID 32695433) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
PubChem CID32695433
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
SMILESCc1cc(C)c(CNC(=O)CCc2cc3ccccc3o2)c(=O)[nH]1
InChIInChI=1S/C19H20N2O3/c1-12-9-13(2)21-19(23)16(12)11-20-18(22)8-7-15-10-14-5-3-4-6-17(14)24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAKRJGSVTBZBCGE-UHFFFAOYSA-N
XLogP2.99
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
CID 17468824
3-[4-[[3-(1-benzofuran-2-yl)propanoylamino]methyl]phenyl]propanoic acid
CID 167847200
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074
4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
CID 52804898
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 27033472
3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120944376
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31959852
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27171008
N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
CID 119799114
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17466838
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17454926

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide (CID 32695433) is 3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide is Cc1cc(C)c(CNC(=O)CCc2cc3ccccc3o2)c(=O)[nH]1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide?
The InChIKey is AKRJGSVTBZBCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-9-13(2)21-19(23)16(12)11-20-18(22)8-7-15-10-14-5-3-4-6-17(14)24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide?
3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 32695433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).