1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one

C22H23F3N4O4 — CID 4987889

IUPAC1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)CC(C(=O)N2CCOC(COc3ccc(C(F)(F)F)cn3)C2)C1c1cccnc1
InChIInChI=1S/C22H23F3N4O4/c1-28-19(30)9-17(20(28)14-3-2-6-26-10-14)21(31)29-7-8-32-16(12-29)13-33-18-5-4-15(11-27-18)22(23,24)25/h2-6,10-11,16-17,20H,7-9,12-13H2,1H3
InChIKeyBLGPQZDNOWECSL-UHFFFAOYSA-N
MW464.44 g/mol
LogP2.32
Rot. Bonds5

About 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one

1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 4987889) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID4987889
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC Name1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)CC(C(=O)N2CCOC(COc3ccc(C(F)(F)F)cn3)C2)C1c1cccnc1
InChIInChI=1S/C22H23F3N4O4/c1-28-19(30)9-17(20(28)14-3-2-6-26-10-14)21(31)29-7-8-32-16(12-29)13-33-18-5-4-15(11-27-18)22(23,24)25/h2-6,10-11,16-17,20H,7-9,12-13H2,1H3
InChIKeyBLGPQZDNOWECSL-UHFFFAOYSA-N
XLogP2.32
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-pyridin-3-yl-4-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 3833751
2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
CID 3770302
methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate
CID 3446701
1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one
CID 119490576
2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
CID 3736388
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
(3S)-1-[(2R,3S)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 125148744
N-[5-chloro-2-[3-oxo-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]prop-1-enyl]phenyl]acetamide
CID 4996190

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one (CID 4987889) is 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one is CN1C(=O)CC(C(=O)N2CCOC(COc3ccc(C(F)(F)F)cn3)C2)C1c1cccnc1.
What is the InChIKey of 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is BLGPQZDNOWECSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4/c1-28-19(30)9-17(20(28)14-3-2-6-26-10-14)21(31)29-7-8-32-16(12-29)13-33-18-5-4-15(11-27-18)22(23,24)25/h2-6,10-11,16-17,20H,7-9,12-13H2,1H3.
What are the key properties of 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one?
1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 464.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyridin-3-yl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 4987889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).