4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one

C20H16N2O4 — CID 54742081

IUPAC4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1cc(O)c([C@@H]2OC(=O)c3ccccc32)c(=O)n1Cc1cccnc1
InChIInChI=1S/C20H16N2O4/c1-12-9-16(23)17(18-14-6-2-3-7-15(14)20(25)26-18)19(24)22(12)11-13-5-4-8-21-10-13/h2-10,18,23H,11H2,1H3/t18-/m1/s1
InChIKeyIKELMAWYKVCRKK-GOSISDBHSA-N
MW348.36 g/mol
LogP2.57
Rot. Bonds3

About 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one

4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 54742081) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID54742081
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1cc(O)c([C@@H]2OC(=O)c3ccccc32)c(=O)n1Cc1cccnc1
InChIInChI=1S/C20H16N2O4/c1-12-9-16(23)17(18-14-6-2-3-7-15(14)20(25)26-18)19(24)22(12)11-13-5-4-8-21-10-13/h2-10,18,23H,11H2,1H3/t18-/m1/s1
InChIKeyIKELMAWYKVCRKK-GOSISDBHSA-N
XLogP2.57
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid
CID 54733655
methyl (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41184643
(4S)-2-amino-7-methyl-5-oxo-4-phenyl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1418475
2-amino-7-methyl-5-oxo-4-pyridin-3-yl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4751699
(4R)-2-amino-7-methyl-4-(4-methylphenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 51566983
4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 54729189
2-ethyl-6-methyl-4-oxo-N-phenyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040065
methyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3773252
2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4890713
(4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1424219
(4R)-2-amino-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1386642
1-(3,5-dimethylphenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)pyrimidine-2,4-dione
CID 132795055

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 54742081) is 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one is Cc1cc(O)c([C@@H]2OC(=O)c3ccccc32)c(=O)n1Cc1cccnc1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is IKELMAWYKVCRKK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-12-9-16(23)17(18-14-6-2-3-7-15(14)20(25)26-18)19(24)22(12)11-13-5-4-8-21-10-13/h2-10,18,23H,11H2,1H3/t18-/m1/s1.
What are the key properties of 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 348.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 54742081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).