(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide

C19H20N4O3 — CID 39045222

IUPAC(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1ccncc1
InChIInChI=1S/C19H20N4O3/c24-17(21-11-14-6-8-20-9-7-14)12-22-19(26)15-10-18(25)23(13-15)16-4-2-1-3-5-16/h1-9,15H,10-13H2,(H,21,24)(H,22,26)/t15-/m0/s1
InChIKeyLCGQHCHEFGKMDX-HNNXBMFYSA-N
MW352.39 g/mol
LogP0.87
Rot. Bonds6

About (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide

(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide (PubChem CID 39045222) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
PubChem CID39045222
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1ccncc1
InChIInChI=1S/C19H20N4O3/c24-17(21-11-14-6-8-20-9-7-14)12-22-19(26)15-10-18(25)23(13-15)16-4-2-1-3-5-16/h1-9,15H,10-13H2,(H,21,24)(H,22,26)/t15-/m0/s1
InChIKeyLCGQHCHEFGKMDX-HNNXBMFYSA-N
XLogP0.87
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-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

(3S)-5-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39044737
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 7337164
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
5-oxo-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 42654320
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39352253
(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39377504
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-1-(3-chloro-4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 29094993

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide (CID 39045222) is (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide is O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1ccncc1.
What is the InChIKey of (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is LCGQHCHEFGKMDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-17(21-11-14-6-8-20-9-7-14)12-22-19(26)15-10-18(25)23(13-15)16-4-2-1-3-5-16/h1-9,15H,10-13H2,(H,21,24)(H,22,26)/t15-/m0/s1.
What are the key properties of (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide?
(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 39045222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).