[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone

C15H23N3O3 — CID 81240813

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C15H23N3O3/c1-3-5-17-14-4-6-16-7-13(14)15(20)18-8-12(9-19)21-10-11(18)2/h4,6-7,11-12,19H,3,5,8-10H2,1-2H3,(H,16,17)
InChIKeyLQPSOEYPHZXCQO-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.13
Rot. Bonds5

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 81240813) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID81240813
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C15H23N3O3/c1-3-5-17-14-4-6-16-7-13(14)15(20)18-8-12(9-19)21-10-11(18)2/h4,6-7,11-12,19H,3,5,8-10H2,1-2H3,(H,16,17)
InChIKeyLQPSOEYPHZXCQO-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

Analyze [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone (CID 81240813) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CC(CO)OCC1C.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is LQPSOEYPHZXCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-5-17-14-4-6-16-7-13(14)15(20)18-8-12(9-19)21-10-11(18)2/h4,6-7,11-12,19H,3,5,8-10H2,1-2H3,(H,16,17).
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(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)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81240813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).