1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone

C22H34N4O4 — CID 124734258

IUPAC1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone
SMILESC[C@@H]1CN(C(=O)CN(CC(=O)N2C[C@H](C)OC[C@H]2C)Cc2cccnc2)[C@H](C)CO1
InChIInChI=1S/C22H34N4O4/c1-16-14-29-18(3)9-25(16)21(27)12-24(11-20-6-5-7-23-8-20)13-22(28)26-10-19(4)30-15-17(26)2/h5-8,16-19H,9-15H2,1-4H3/t16-,17-,18-,19+/m1/s1
InChIKeyLZNMGBAEWSRIJA-MKXGPGLRSA-N
MW418.54 g/mol
LogP1.16
Rot. Bonds6

About 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone

1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone (PubChem CID 124734258) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone
PubChem CID124734258
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC Name1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone
SMILESC[C@@H]1CN(C(=O)CN(CC(=O)N2C[C@H](C)OC[C@H]2C)Cc2cccnc2)[C@H](C)CO1
InChIInChI=1S/C22H34N4O4/c1-16-14-29-18(3)9-25(16)21(27)12-24(11-20-6-5-7-23-8-20)13-22(28)26-10-19(4)30-15-17(26)2/h5-8,16-19H,9-15H2,1-4H3/t16-,17-,18-,19+/m1/s1
InChIKeyLZNMGBAEWSRIJA-MKXGPGLRSA-N
XLogP1.16
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone with MolForge

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 94093975
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 135106237
methyl N-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-N-methylcarbamate
CID 51081735
2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99106907
1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70750081
(E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 81218755
4-[3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]benzoic acid
CID 124693867
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone (CID 124734258) is 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone is C[C@@H]1CN(C(=O)CN(CC(=O)N2C[C@H](C)OC[C@H]2C)Cc2cccnc2)[C@H](C)CO1.
What is the InChIKey of 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone?
The InChIKey is LZNMGBAEWSRIJA-MKXGPGLRSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-16-14-29-18(3)9-25(16)21(27)12-24(11-20-6-5-7-23-8-20)13-22(28)26-10-19(4)30-15-17(26)2/h5-8,16-19H,9-15H2,1-4H3/t16-,17-,18-,19+/m1/s1.
What are the key properties of 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone?
1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone has a molecular weight of 418.54 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 124734258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).