1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one

C20H24N2O3 — CID 97136366

IUPAC1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)cc1=O
InChIInChI=1S/C20H24N2O3/c1-2-21-9-7-18(12-19(21)24)20(25)22-8-6-16(13-22)10-15-4-3-5-17(11-15)14-23/h3-5,7,9,11-12,16,23H,2,6,8,10,13-14H2,1H3/t16-/m0/s1
InChIKeyRGWXALDQRMKWFF-INIZCTEOSA-N
MW340.42 g/mol
LogP2.07
Rot. Bonds5

About 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one

1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 97136366) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one
PubChem CID97136366
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)cc1=O
InChIInChI=1S/C20H24N2O3/c1-2-21-9-7-18(12-19(21)24)20(25)22-8-6-16(13-22)10-15-4-3-5-17(11-15)14-23/h3-5,7,9,11-12,16,23H,2,6,8,10,13-14H2,1H3/t16-/m0/s1
InChIKeyRGWXALDQRMKWFF-INIZCTEOSA-N
XLogP2.07
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 167804541
(2,5-dimethylphenyl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97207529
[1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 72918323
2-[cyclopentyl(methyl)amino]-1-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72923466
(1-benzylpyrazol-4-yl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97126462
(5-chlorothiophen-2-yl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97211126
3-cyclopropyl-1-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 72847288
4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
CID 74249419
[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 72901658
[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 97201397
1-ethyl-4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]pyridin-2-one
CID 138380813
[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 97193036

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one (CID 97136366) is 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one is CCn1ccc(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)cc1=O.
What is the InChIKey of 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one?
The InChIKey is RGWXALDQRMKWFF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-21-9-7-18(12-19(21)24)20(25)22-8-6-16(13-22)10-15-4-3-5-17(11-15)14-23/h3-5,7,9,11-12,16,23H,2,6,8,10,13-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one?
1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 97136366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).