5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide

C19H21N3O2 — CID 110607112

IUPAC5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1cccnc1)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18-11-10-17(22(18)16-8-2-1-3-9-16)19(24)21-13-5-7-15-6-4-12-20-14-15/h1-4,6,8-9,12,14,17H,5,7,10-11,13H2,(H,21,24)
InChIKeyUDUKOGXPTQNZEX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.33
Rot. Bonds6

About 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide

5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 110607112) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID110607112
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1cccnc1)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18-11-10-17(22(18)16-8-2-1-3-9-16)19(24)21-13-5-7-15-6-4-12-20-14-15/h1-4,6,8-9,12,14,17H,5,7,10-11,13H2,(H,21,24)
InChIKeyUDUKOGXPTQNZEX-UHFFFAOYSA-N
XLogP2.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110630711
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 110406517
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110606566
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 42521558
6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
CID 45246000
N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 36982143
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373767
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide (CID 110607112) is 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide is O=C(NCCCc1cccnc1)C1CCC(=O)N1c1ccccc1.
What is the InChIKey of 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is UDUKOGXPTQNZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18-11-10-17(22(18)16-8-2-1-3-9-16)19(24)21-13-5-7-15-6-4-12-20-14-15/h1-4,6,8-9,12,14,17H,5,7,10-11,13H2,(H,21,24).
What are the key properties of 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide?
5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110607112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).