3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one

C18H20N2O4 — CID 138054672

IUPAC3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCCC2CO)c(=O)[nH]1
InChIInChI=1S/C18H20N2O4/c1-24-16-7-3-2-6-13(16)15-9-8-14(17(22)19-15)18(23)20-10-4-5-12(20)11-21/h2-3,6-9,12,21H,4-5,10-11H2,1H3,(H,19,22)
InChIKeyIJQDZVNDUUDMTK-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.65
Rot. Bonds4

About 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one

3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one (PubChem CID 138054672) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one
PubChem CID138054672
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCCC2CO)c(=O)[nH]1
InChIInChI=1S/C18H20N2O4/c1-24-16-7-3-2-6-13(16)15-9-8-14(17(22)19-15)18(23)20-10-4-5-12(20)11-21/h2-3,6-9,12,21H,4-5,10-11H2,1H3,(H,19,22)
InChIKeyIJQDZVNDUUDMTK-UHFFFAOYSA-N
XLogP1.65
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103863308
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 79027800
(2-methoxyphenyl)-[2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 20623537
(2-methoxyphenyl)-[(2R)-2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 59949488
(2-amino-4,5-dimethoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210017
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 43421310
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate
CID 58757581
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115413023
(3,5-dimethoxy-4-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411271
(4-hydroxy-3-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473392

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one (CID 138054672) is 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one is COc1ccccc1-c1ccc(C(=O)N2CCCC2CO)c(=O)[nH]1.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one?
The InChIKey is IJQDZVNDUUDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-24-16-7-3-2-6-13(16)15-9-8-14(17(22)19-15)18(23)20-10-4-5-12(20)11-21/h2-3,6-9,12,21H,4-5,10-11H2,1H3,(H,19,22).
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one?
3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 138054672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).