3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one

C19H24N2O3 — CID 141419107

IUPAC3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one
SMILESCOc1cn(-c2ccc(OCCCN3CCCC3)cc2)ccc1=O
InChIInChI=1S/C19H24N2O3/c1-23-19-15-21(13-9-18(19)22)16-5-7-17(8-6-16)24-14-4-12-20-10-2-3-11-20/h5-9,13,15H,2-4,10-12,14H2,1H3
InChIKeyAJIBPHAILGCWNT-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.71
Rot. Bonds7

About 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one

3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one (PubChem CID 141419107) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one
PubChem CID141419107
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one
SMILESCOc1cn(-c2ccc(OCCCN3CCCC3)cc2)ccc1=O
InChIInChI=1S/C19H24N2O3/c1-23-19-15-21(13-9-18(19)22)16-5-7-17(8-6-16)24-14-4-12-20-10-2-3-11-20/h5-9,13,15H,2-4,10-12,14H2,1H3
InChIKeyAJIBPHAILGCWNT-UHFFFAOYSA-N
XLogP2.71
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.71
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 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one?
The IUPAC name of 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one (CID 141419107) is 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one.
What is the SMILES notation for 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one?
The canonical SMILES for 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one is COc1cn(-c2ccc(OCCCN3CCCC3)cc2)ccc1=O.
What is the InChIKey of 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one?
The InChIKey is AJIBPHAILGCWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-19-15-21(13-9-18(19)22)16-5-7-17(8-6-16)24-14-4-12-20-10-2-3-11-20/h5-9,13,15H,2-4,10-12,14H2,1H3.
What are the key properties of 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one?
3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one has a molecular weight of 328.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one is sourced from PubChem (CID 141419107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).