N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide

C20H23N3O2 — CID 110684524

IUPACN-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccnc2)C1
InChIInChI=1S/C20H23N3O2/c1-15(2)22(13-16-7-4-3-5-8-16)20(25)17-11-19(24)23(14-17)18-9-6-10-21-12-18/h3-10,12,15,17H,11,13-14H2,1-2H3
InChIKeyPFDNUTSNNHDJLX-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.87
Rot. Bonds5

About N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide

N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 110684524) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID110684524
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccnc2)C1
InChIInChI=1S/C20H23N3O2/c1-15(2)22(13-16-7-4-3-5-8-16)20(25)17-11-19(24)23(14-17)18-9-6-10-21-12-18/h3-10,12,15,17H,11,13-14H2,1-2H3
InChIKeyPFDNUTSNNHDJLX-UHFFFAOYSA-N
XLogP2.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186693
N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113190164
N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192006
N-benzyl-1-(3-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191914
N-benzyl-1-(2,6-difluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192275
(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9352300
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9351346
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205
4-(4-ethylpiperazine-1-carbonyl)-1-pyridin-3-ylpyrrolidin-2-one
CID 110684478
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539
N-benzyl-1-[(2-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183447

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide (CID 110684524) is N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccnc2)C1.
What is the InChIKey of N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is PFDNUTSNNHDJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(2)22(13-16-7-4-3-5-8-16)20(25)17-11-19(24)23(14-17)18-9-6-10-21-12-18/h3-10,12,15,17H,11,13-14H2,1-2H3.
What are the key properties of N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide?
N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110684524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).