6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide

C17H24N4O3 — CID 117088866

IUPAC6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C17H24N4O3/c22-16-6-2-8-21(16)9-3-7-18-17(23)14-4-1-5-15(19-14)20-10-12-24-13-11-20/h1,4-5H,2-3,6-13H2,(H,18,23)
InChIKeyVOQQIZCZJFMBHS-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.66
Rot. Bonds6

About 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide

6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 117088866) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
PubChem CID117088866
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C17H24N4O3/c22-16-6-2-8-21(16)9-3-7-18-17(23)14-4-1-5-15(19-14)20-10-12-24-13-11-20/h1,4-5H,2-3,6-13H2,(H,18,23)
InChIKeyVOQQIZCZJFMBHS-UHFFFAOYSA-N
XLogP0.66
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.66
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 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide (CID 117088866) is 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide is O=C(NCCCN1CCCC1=O)c1cccc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is VOQQIZCZJFMBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16-6-2-8-21(16)9-3-7-18-17(23)14-4-1-5-15(19-14)20-10-12-24-13-11-20/h1,4-5H,2-3,6-13H2,(H,18,23).
What are the key properties of 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide?
6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 117088866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).