4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

C20H20ClN3O4 — CID 122248397

IUPAC4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CC(Oc4ccc(Cl)cn4)C3)CC2=O)c1
InChIInChI=1S/C20H20ClN3O4/c1-27-16-4-2-3-15(8-16)24-10-13(7-19(24)25)20(26)23-11-17(12-23)28-18-6-5-14(21)9-22-18/h2-6,8-9,13,17H,7,10-12H2,1H3
InChIKeyLLRPPSPDJZBQOQ-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.39
Rot. Bonds5

About 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (PubChem CID 122248397) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
PubChem CID122248397
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CC(Oc4ccc(Cl)cn4)C3)CC2=O)c1
InChIInChI=1S/C20H20ClN3O4/c1-27-16-4-2-3-15(8-16)24-10-13(7-19(24)25)20(26)23-11-17(12-23)28-18-6-5-14(21)9-22-18/h2-6,8-9,13,17H,7,10-12H2,1H3
InChIKeyLLRPPSPDJZBQOQ-UHFFFAOYSA-N
XLogP2.39
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-(4-methoxyphenyl)-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247205
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
1-(3-methoxyphenyl)-4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122257345
(4S)-1-(3-methoxyphenyl)-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29136650
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
(2-chlorophenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056891
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
CID 122251907
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122248470
tert-butyl 4-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 42651559
tert-butyl 4-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29132211

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (CID 122248397) is 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is COc1cccc(N2CC(C(=O)N3CC(Oc4ccc(Cl)cn4)C3)CC2=O)c1.
What is the InChIKey of 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is LLRPPSPDJZBQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-27-16-4-2-3-15(8-16)24-10-13(7-19(24)25)20(26)23-11-17(12-23)28-18-6-5-14(21)9-22-18/h2-6,8-9,13,17H,7,10-12H2,1H3.
What are the key properties of 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 401.85 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 122248397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).