N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

C21H25N3O2 — CID 113184178

IUPACN-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-23(13-9-18-7-11-22-12-8-18)21(26)19-15-20(25)24(16-19)14-10-17-5-3-2-4-6-17/h2-8,11-12,19H,9-10,13-16H2,1H3
InChIKeyNGDGJAJGSJXGAC-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.17
Rot. Bonds7

About N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 113184178) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
PubChem CID113184178
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-23(13-9-18-7-11-22-12-8-18)21(26)19-15-20(25)24(16-19)14-10-17-5-3-2-4-6-17/h2-8,11-12,19H,9-10,13-16H2,1H3
InChIKeyNGDGJAJGSJXGAC-UHFFFAOYSA-N
XLogP2.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113185294
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111543092
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305
(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 30247534
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113189751
N-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186754
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51190222
N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42998707
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97186593

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (CID 113184178) is N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is CN(CCc1ccncc1)C(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is NGDGJAJGSJXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(13-9-18-7-11-22-12-8-18)21(26)19-15-20(25)24(16-19)14-10-17-5-3-2-4-6-17/h2-8,11-12,19H,9-10,13-16H2,1H3.
What are the key properties of N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113184178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).