1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C16H21N3O3 — CID 90567826

IUPAC1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C16H21N3O3/c20-15-9-12(11-19(15)14-4-7-22-8-5-14)16(21)18-10-13-3-1-2-6-17-13/h1-3,6,12,14H,4-5,7-11H2,(H,18,21)
InChIKeyTUFLWADNQIAFTK-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.73
Rot. Bonds4

About 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 90567826) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID90567826
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C16H21N3O3/c20-15-9-12(11-19(15)14-4-7-22-8-5-14)16(21)18-10-13-3-1-2-6-17-13/h1-3,6,12,14H,4-5,7-11H2,(H,18,21)
InChIKeyTUFLWADNQIAFTK-UHFFFAOYSA-N
XLogP0.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
1-(2-morpholin-4-ylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113189989
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
(3S,5R)-1-(oxan-4-yl)-5-(pyridin-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 56897235
1-(2,6-dichlorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191249
1-(2,6-difluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113192245
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113186549
N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567997
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93018322
1-butan-2-yl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182112
1-[3-(difluoromethyl)phenyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 166541592

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 90567826) is 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccccn1)C1CC(=O)N(C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is TUFLWADNQIAFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-9-12(11-19(15)14-4-7-22-8-5-14)16(21)18-10-13-3-1-2-6-17-13/h1-3,6,12,14H,4-5,7-11H2,(H,18,21).
What are the key properties of 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 90567826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).