(5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C19H22N2O3 — CID 129481766

IUPAC(5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1cncc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(OC)c2)c1
InChIInChI=1S/C19H22N2O3/c1-3-13-7-15(11-20-10-13)19(23)21-12-16(22)9-18(21)14-5-4-6-17(8-14)24-2/h4-8,10-11,16,18,22H,3,9,12H2,1-2H3/t16-,18-/m0/s1
InChIKeyZJAFIWNQFGKUER-WMZOPIPTSA-N
MW326.40 g/mol
LogP2.60
Rot. Bonds4

About (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

(5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 129481766) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID129481766
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1cncc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(OC)c2)c1
InChIInChI=1S/C19H22N2O3/c1-3-13-7-15(11-20-10-13)19(23)21-12-16(22)9-18(21)14-5-4-6-17(8-14)24-2/h4-8,10-11,16,18,22H,3,9,12H2,1-2H3/t16-,18-/m0/s1
InChIKeyZJAFIWNQFGKUER-WMZOPIPTSA-N
XLogP2.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481618
(3-fluorophenyl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 125141501
(5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129346073
(1-tert-butylpyrazol-4-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481518
(3-chloro-4-pyridinyl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129350039
(3-fluoro-4-pyridinyl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481464
(3-ethyl-6-methylpyridazin-4-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481435
(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481343
1-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 129481460
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 129481695
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129346475
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129481472

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 129481766) is (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is CCc1cncc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(OC)c2)c1.
What is the InChIKey of (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZJAFIWNQFGKUER-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-13-7-15(11-20-10-13)19(23)21-12-16(22)9-18(21)14-5-4-6-17(8-14)24-2/h4-8,10-11,16,18,22H,3,9,12H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
(5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129481766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).