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

C15H23N3O3 — CID 102936156

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CC(C)OC(CO)C2)cn1
InChIInChI=1S/C15H23N3O3/c1-3-6-16-14-5-4-12(7-17-14)15(20)18-8-11(2)21-13(9-18)10-19/h4-5,7,11,13,19H,3,6,8-10H2,1-2H3,(H,16,17)
InChIKeyYTENJYUUJIUBND-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.13
Rot. Bonds5

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

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone (PubChem CID 102936156) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone
PubChem CID102936156
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CC(C)OC(CO)C2)cn1
InChIInChI=1S/C15H23N3O3/c1-3-6-16-14-5-4-12(7-17-14)15(20)18-8-11(2)21-13(9-18)10-19/h4-5,7,11,13,19H,3,6,8-10H2,1-2H3,(H,16,17)
InChIKeyYTENJYUUJIUBND-UHFFFAOYSA-N
XLogP1.13
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 102936109
(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
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
CID 102934025
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone (CID 102936156) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone is CCCNc1ccc(C(=O)N2CC(C)OC(CO)C2)cn1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone?
The InChIKey is YTENJYUUJIUBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-6-16-14-5-4-12(7-17-14)15(20)18-8-11(2)21-13(9-18)10-19/h4-5,7,11,13,19H,3,6,8-10H2,1-2H3,(H,16,17).
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone has a molecular weight of 293.37 g/mol, XLogP of 1.13, 5 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-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 102936156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).