(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone

C12H17N3O2 — CID 81236152

IUPAC(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnccc2N)CC(C)O1
InChIInChI=1S/C12H17N3O2/c1-8-6-15(7-9(2)17-8)12(16)10-5-14-4-3-11(10)13/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14)
InChIKeySMOLNBIOOHXSSS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds1

About (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone

(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 81236152) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID81236152
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnccc2N)CC(C)O1
InChIInChI=1S/C12H17N3O2/c1-8-6-15(7-9(2)17-8)12(16)10-5-14-4-3-11(10)13/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14)
InChIKeySMOLNBIOOHXSSS-UHFFFAOYSA-N
XLogP0.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115646200
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 114196779
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 104960482
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959820
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 68771862
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 81236152) is (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cnccc2N)CC(C)O1.
What is the InChIKey of (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is SMOLNBIOOHXSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-15(7-9(2)17-8)12(16)10-5-14-4-3-11(10)13/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 81236152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).