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

C13H19N3O3 — CID 102936109

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CC(C)OC(CO)C2)cn1
InChIInChI=1S/C13H19N3O3/c1-9-6-16(7-11(8-17)19-9)13(18)10-3-4-12(14-2)15-5-10/h3-5,9,11,17H,6-8H2,1-2H3,(H,14,15)
InChIKeyWZPNXUXMVZODKQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.35
Rot. Bonds3

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

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone (PubChem CID 102936109) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone
PubChem CID102936109
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CC(C)OC(CO)C2)cn1
InChIInChI=1S/C13H19N3O3/c1-9-6-16(7-11(8-17)19-9)13(18)10-3-4-12(14-2)15-5-10/h3-5,9,11,17H,6-8H2,1-2H3,(H,14,15)
InChIKeyWZPNXUXMVZODKQ-UHFFFAOYSA-N
XLogP0.35
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 102936156
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 104960451
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 102936157
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
CID 102934025
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide
CID 102932878
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978661
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone (CID 102936109) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone is CNc1ccc(C(=O)N2CC(C)OC(CO)C2)cn1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone?
The InChIKey is WZPNXUXMVZODKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-6-16(7-11(8-17)19-9)13(18)10-3-4-12(14-2)15-5-10/h3-5,9,11,17H,6-8H2,1-2H3,(H,14,15).
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone has a molecular weight of 265.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 102936109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).