(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide

C20H20N4O2 — CID 25279424

IUPAC(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H20N4O2/c25-19(17-10-13-24(20(17)26)16-6-2-1-3-7-16)21-11-9-15-14-23-12-5-4-8-18(23)22-15/h1-8,12,14,17H,9-11,13H2,(H,21,25)/t17-/m0/s1
InChIKeyNSBUBXCVANXVBD-KRWDZBQOSA-N
MW348.41 g/mol
LogP2.05
Rot. Bonds5

About (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 25279424) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID25279424
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H20N4O2/c25-19(17-10-13-24(20(17)26)16-6-2-1-3-7-16)21-11-9-15-14-23-12-5-4-8-18(23)22-15/h1-8,12,14,17H,9-11,13H2,(H,21,25)/t17-/m0/s1
InChIKeyNSBUBXCVANXVBD-KRWDZBQOSA-N
XLogP2.05
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125160032
(3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 92711359
5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid
CID 167894308
(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 25288656
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46048874
(3R)-1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 92986922
2-oxo-1-(4-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 42853656
formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide
CID 154904325
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444630

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 25279424) is (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCCc1cn2ccccc2n1)[C@@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is NSBUBXCVANXVBD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(17-10-13-24(20(17)26)16-6-2-1-3-7-16)21-11-9-15-14-23-12-5-4-8-18(23)22-15/h1-8,12,14,17H,9-11,13H2,(H,21,25)/t17-/m0/s1.
What are the key properties of (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 25279424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).