2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one

C15H23N3O3 — CID 122145617

IUPAC2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one
SMILESCCC(NCc1cccc(OC)n1)C(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-3-13(15(19)18-7-9-21-10-8-18)16-11-12-5-4-6-14(17-12)20-2/h4-6,13,16H,3,7-11H2,1-2H3
InChIKeyGQODJTYMPBVDOT-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.82
Rot. Bonds6

About 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one

2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one (PubChem CID 122145617) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one
PubChem CID122145617
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one
SMILESCCC(NCc1cccc(OC)n1)C(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-3-13(15(19)18-7-9-21-10-8-18)16-11-12-5-4-6-14(17-12)20-2/h4-6,13,16H,3,7-11H2,1-2H3
InChIKeyGQODJTYMPBVDOT-UHFFFAOYSA-N
XLogP0.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one (CID 122145617) is 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one is CCC(NCc1cccc(OC)n1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is GQODJTYMPBVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-13(15(19)18-7-9-21-10-8-18)16-11-12-5-4-6-14(17-12)20-2/h4-6,13,16H,3,7-11H2,1-2H3.
What are the key properties of 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one?
2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 293.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 122145617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).