(2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C21H26N4O2 — CID 75529653

IUPAC(2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)NCc1cccnc1
InChIInChI=1S/C21H26N4O2/c1-22-20(26)19(13-16-7-3-2-4-8-16)25-12-6-10-18(25)21(27)24-15-17-9-5-11-23-14-17/h2-5,7-9,11,14,18-19H,6,10,12-13,15H2,1H3,(H,22,26)(H,24,27)/t18-,19+/m0/s1
InChIKeyKHYCYFPOTLMNSD-RBUKOAKNSA-N
MW366.47 g/mol
LogP1.52
Rot. Bonds7

About (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 75529653) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID75529653
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)NCc1cccnc1
InChIInChI=1S/C21H26N4O2/c1-22-20(26)19(13-16-7-3-2-4-8-16)25-12-6-10-18(25)21(27)24-15-17-9-5-11-23-14-17/h2-5,7-9,11,14,18-19H,6,10,12-13,15H2,1H3,(H,22,26)(H,24,27)/t18-,19+/m0/s1
InChIKeyKHYCYFPOTLMNSD-RBUKOAKNSA-N
XLogP1.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 75529653) is (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is KHYCYFPOTLMNSD-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-22-20(26)19(13-16-7-3-2-4-8-16)25-12-6-10-18(25)21(27)24-15-17-9-5-11-23-14-17/h2-5,7-9,11,14,18-19H,6,10,12-13,15H2,1H3,(H,22,26)(H,24,27)/t18-,19+/m0/s1.
What are the key properties of (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75529653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).