[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone

C12H17N3O3 — CID 81442735

IUPAC[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESCC1COC(CN)CN1C(=O)c1ccncc1O
InChIInChI=1S/C12H17N3O3/c1-8-7-18-9(4-13)6-15(8)12(17)10-2-3-14-5-11(10)16/h2-3,5,8-9,16H,4,6-7,13H2,1H3
InChIKeyWHGOFWSQRPLONX-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.02
Rot. Bonds2

About [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone

[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 81442735) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
PubChem CID81442735
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESCC1COC(CN)CN1C(=O)c1ccncc1O
InChIInChI=1S/C12H17N3O3/c1-8-7-18-9(4-13)6-15(8)12(17)10-2-3-14-5-11(10)16/h2-3,5,8-9,16H,4,6-7,13H2,1H3
InChIKeyWHGOFWSQRPLONX-UHFFFAOYSA-N
XLogP-0.02
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81240813
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212515
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443535
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 81211614
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107723418
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 81211451
[5-methyl-4-(3-methyl-4-pyridinyl)morpholin-2-yl]methanamine
CID 81217599
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 81442735) is [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone is CC1COC(CN)CN1C(=O)c1ccncc1O.
What is the InChIKey of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is WHGOFWSQRPLONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-7-18-9(4-13)6-15(8)12(17)10-2-3-14-5-11(10)16/h2-3,5,8-9,16H,4,6-7,13H2,1H3.
What are the key properties of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone?
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 251.29 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 81442735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).