[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C19H22N2O3 — CID 51111109

IUPAC[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(OC)nc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-16-9-6-14(7-10-16)17-5-4-12-21(17)19(22)15-8-11-18(23-2)20-13-15/h6-11,13,17H,3-5,12H2,1-2H3
InChIKeyJMOSMLLXXFDWGI-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.47
Rot. Bonds5

About [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 51111109) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID51111109
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(OC)nc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-16-9-6-14(7-10-16)17-5-4-12-21(17)19(22)15-8-11-18(23-2)20-13-15/h6-11,13,17H,3-5,12H2,1-2H3
InChIKeyJMOSMLLXXFDWGI-UHFFFAOYSA-N
XLogP3.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
(3-bromo-4-methoxyphenyl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46421562
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
[4-(diethylaminomethyl)phenyl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55667905
(6-methoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124968333
[6-[(2S)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92623621
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
CID 51270971
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 41135388

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 51111109) is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is CCOc1ccc(C2CCCN2C(=O)c2ccc(OC)nc2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is JMOSMLLXXFDWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-24-16-9-6-14(7-10-16)17-5-4-12-21(17)19(22)15-8-11-18(23-2)20-13-15/h6-11,13,17H,3-5,12H2,1-2H3.
What are the key properties of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 51111109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).