[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone

C14H21N3O3 — CID 81256333

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
SMILESCNc1cc(C)ncc1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C14H21N3O3/c1-9-4-13(15-3)12(5-16-9)14(19)17-6-11(7-18)20-8-10(17)2/h4-5,10-11,18H,6-8H2,1-3H3,(H,15,16)
InChIKeyZXAMOCRLKBYUOI-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.65
Rot. Bonds3

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone (PubChem CID 81256333) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
PubChem CID81256333
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
SMILESCNc1cc(C)ncc1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C14H21N3O3/c1-9-4-13(15-3)12(5-16-9)14(19)17-6-11(7-18)20-8-10(17)2/h4-5,10-11,18H,6-8H2,1-3H3,(H,15,16)
InChIKeyZXAMOCRLKBYUOI-UHFFFAOYSA-N
XLogP0.65
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-[4-(ethylamino)-6-methyl-3-pyridinyl]methanone
CID 81242938
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 81213448
(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 110027448
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107376366
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81240172
(4-bromo-2-methylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208453
(2-hydrazinylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81214213
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81240813
(4-chloro-6-methyl-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81226044
[2-chloro-6-(methylamino)-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213227
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107723418
[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81241168

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone (CID 81256333) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone is CNc1cc(C)ncc1C(=O)N1CC(CO)OCC1C.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
The InChIKey is ZXAMOCRLKBYUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-4-13(15-3)12(5-16-9)14(19)17-6-11(7-18)20-8-10(17)2/h4-5,10-11,18H,6-8H2,1-3H3,(H,15,16).
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone has a molecular weight of 279.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81256333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).