(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone

C12H16N2O2 — CID 110727642

IUPAC(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)C(C)CO1
InChIInChI=1S/C12H16N2O2/c1-9-8-16-10(2)7-14(9)12(15)11-4-3-5-13-6-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyAQYGCFGNSLWOFV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.33
Rot. Bonds1

About (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone

(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone (PubChem CID 110727642) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
PubChem CID110727642
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)C(C)CO1
InChIInChI=1S/C12H16N2O2/c1-9-8-16-10(2)7-14(9)12(15)11-4-3-5-13-6-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyAQYGCFGNSLWOFV-UHFFFAOYSA-N
XLogP1.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
5-(2,5-dimethylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 43420937
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
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
(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 51077390
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 51077388
(2,5-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 55047019
3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420928
[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
CID 136582250
(2,5-dimethylmorpholin-4-yl)-(2-hydrazinyl-3-pyridinyl)methanone
CID 62242697

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone (CID 110727642) is (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone is CC1CN(C(=O)c2cccnc2)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone?
The InChIKey is AQYGCFGNSLWOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-8-16-10(2)7-14(9)12(15)11-4-3-5-13-6-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone?
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 110727642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).