1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide

C25H27N3O3 — CID 48664810

IUPAC1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCC(NC(=O)c1cccn(Cc2ccccc2)c1=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O3/c1-19(21-9-11-22(12-10-21)27-14-16-31-17-15-27)26-24(29)23-8-5-13-28(25(23)30)18-20-6-3-2-4-7-20/h2-13,19H,14-18H2,1H3,(H,26,29)
InChIKeyIXNCGYQSWUOFJW-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.22
Rot. Bonds6

About 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide

1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 48664810) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID48664810
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCC(NC(=O)c1cccn(Cc2ccccc2)c1=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O3/c1-19(21-9-11-22(12-10-21)27-14-16-31-17-15-27)26-24(29)23-8-5-13-28(25(23)30)18-20-6-3-2-4-7-20/h2-13,19H,14-18H2,1H3,(H,26,29)
InChIKeyIXNCGYQSWUOFJW-UHFFFAOYSA-N
XLogP3.22
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide (CID 48664810) is 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide is CC(NC(=O)c1cccn(Cc2ccccc2)c1=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is IXNCGYQSWUOFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-19(21-9-11-22(12-10-21)27-14-16-31-17-15-27)26-24(29)23-8-5-13-28(25(23)30)18-20-6-3-2-4-7-20/h2-13,19H,14-18H2,1H3,(H,26,29).
What are the key properties of 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide?
1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 48664810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).