1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one

C18H24N2O3 — CID 54555318

IUPAC1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one
SMILESO=c1ccccn1CCCCOCCCCOc1ccccn1
InChIInChI=1S/C18H24N2O3/c21-18-10-2-4-12-20(18)13-5-6-14-22-15-7-8-16-23-17-9-1-3-11-19-17/h1-4,9-12H,5-8,13-16H2
InChIKeyZMTNHCCDMNCFCO-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.90
Rot. Bonds11

About 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one

1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one (PubChem CID 54555318) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one
PubChem CID54555318
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one
SMILESO=c1ccccn1CCCCOCCCCOc1ccccn1
InChIInChI=1S/C18H24N2O3/c21-18-10-2-4-12-20(18)13-5-6-14-22-15-7-8-16-23-17-9-1-3-11-19-17/h1-4,9-12H,5-8,13-16H2
InChIKeyZMTNHCCDMNCFCO-UHFFFAOYSA-N
XLogP2.90
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
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 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one?
The IUPAC name of 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one (CID 54555318) is 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one?
The canonical SMILES for 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one is O=c1ccccn1CCCCOCCCCOc1ccccn1.
What is the InChIKey of 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one?
The InChIKey is ZMTNHCCDMNCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-18-10-2-4-12-20(18)13-5-6-14-22-15-7-8-16-23-17-9-1-3-11-19-17/h1-4,9-12H,5-8,13-16H2.
What are the key properties of 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one?
1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.90, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyridin-2-yloxybutoxy)butyl]pyridin-2-one is sourced from PubChem (CID 54555318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).