1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione

C20H21ClN2O3 — CID 129418342

IUPAC1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione
SMILESCc1ccc(O[C@@H]2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)nc1
InChIInChI=1S/C20H21ClN2O3/c1-14-2-8-19(22-12-14)26-17-10-11-23(13-17)20(25)9-7-18(24)15-3-5-16(21)6-4-15/h2-6,8,12,17H,7,9-11,13H2,1H3/t17-/m1/s1
InChIKeyZUXUFRCBCQDAPG-QGZVFWFLSA-N
MW372.85 g/mol
LogP3.69
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione

1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione (PubChem CID 129418342) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione
PubChem CID129418342
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione
SMILESCc1ccc(O[C@@H]2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)nc1
InChIInChI=1S/C20H21ClN2O3/c1-14-2-8-19(22-12-14)26-17-10-11-23(13-17)20(25)9-7-18(24)15-3-5-16(21)6-4-15/h2-6,8,12,17H,7,9-11,13H2,1H3/t17-/m1/s1
InChIKeyZUXUFRCBCQDAPG-QGZVFWFLSA-N
XLogP3.69
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione with MolForge

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Related Compounds

3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 110208360
1-(4-chlorophenyl)-4-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]butane-1,4-dione
CID 121017556
1-(4-chlorophenyl)-4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]butane-1,4-dione
CID 122257704
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498
4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 97259925
4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 84600424
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
(3-fluoro-4-methoxyphenyl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416784
5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
CID 167560910
[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129418276
[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417270

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione (CID 129418342) is 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione is Cc1ccc(O[C@@H]2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)nc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione?
The InChIKey is ZUXUFRCBCQDAPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-14-2-8-19(22-12-14)26-17-10-11-23(13-17)20(25)9-7-18(24)15-3-5-16(21)6-4-15/h2-6,8,12,17H,7,9-11,13H2,1H3/t17-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione?
1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione has a molecular weight of 372.85 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione is sourced from PubChem (CID 129418342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).