4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one

C12H17N3O3 — CID 155587801

IUPAC4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one
SMILESNc1cc(OCCCN2CCOCC2=O)ccn1
InChIInChI=1S/C12H17N3O3/c13-11-8-10(2-3-14-11)18-6-1-4-15-5-7-17-9-12(15)16/h2-3,8H,1,4-7,9H2,(H2,13,14)
InChIKeyOIMXZJISABXHGW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.29
Rot. Bonds5

About 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one

4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one (PubChem CID 155587801) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one
PubChem CID155587801
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one
SMILESNc1cc(OCCCN2CCOCC2=O)ccn1
InChIInChI=1S/C12H17N3O3/c13-11-8-10(2-3-14-11)18-6-1-4-15-5-7-17-9-12(15)16/h2-3,8H,1,4-7,9H2,(H2,13,14)
InChIKeyOIMXZJISABXHGW-UHFFFAOYSA-N
XLogP0.29
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one?
The IUPAC name of 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one (CID 155587801) is 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one.
What is the SMILES notation for 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one?
The canonical SMILES for 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one is Nc1cc(OCCCN2CCOCC2=O)ccn1.
What is the InChIKey of 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one?
The InChIKey is OIMXZJISABXHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-11-8-10(2-3-14-11)18-6-1-4-15-5-7-17-9-12(15)16/h2-3,8H,1,4-7,9H2,(H2,13,14).
What are the key properties of 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one?
4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one has a molecular weight of 251.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one is sourced from PubChem (CID 155587801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).