5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide

C20H25N3O2 — CID 45484303

IUPAC5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide
SMILESO=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
InChIKeyXCHIZTUBUXZESJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.19
Rot. Bonds7

About 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide

5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide (PubChem CID 45484303) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide
PubChem CID45484303
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide
SMILESO=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
InChIKeyXCHIZTUBUXZESJ-UHFFFAOYSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide?
The IUPAC name of 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide (CID 45484303) is 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide.
What is the SMILES notation for 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide?
The canonical SMILES for 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide is O=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide?
The InChIKey is XCHIZTUBUXZESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24).
What are the key properties of 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide?
5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide has a molecular weight of 339.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide is sourced from PubChem (CID 45484303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).