(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide

C21H22N4O3 — CID 136584260

IUPAC(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NC2CC(=O)N(c3ccccc3)C2)[C@H]1c1cccnc1
InChIInChI=1S/C21H22N4O3/c1-24-18(26)11-17(20(24)14-6-5-9-22-12-14)21(28)23-15-10-19(27)25(13-15)16-7-3-2-4-8-16/h2-9,12,15,17,20H,10-11,13H2,1H3,(H,23,28)/t15?,17-,20+/m0/s1
InChIKeyOLZRHABSNBSBGV-SLCQCKNWSA-N
MW378.43 g/mol
LogP1.52
Rot. Bonds4

About (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide

(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 136584260) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID136584260
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NC2CC(=O)N(c3ccccc3)C2)[C@H]1c1cccnc1
InChIInChI=1S/C21H22N4O3/c1-24-18(26)11-17(20(24)14-6-5-9-22-12-14)21(28)23-15-10-19(27)25(13-15)16-7-3-2-4-8-16/h2-9,12,15,17,20H,10-11,13H2,1H3,(H,23,28)/t15?,17-,20+/m0/s1
InChIKeyOLZRHABSNBSBGV-SLCQCKNWSA-N
XLogP1.52
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
2-[(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119348829
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
N-(3-aminopropyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 175604220
(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95767503
(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 124505381
(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 97027555
(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95346327
1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one
CID 119490576

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide (CID 136584260) is (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide is CN1C(=O)C[C@H](C(=O)NC2CC(=O)N(c3ccccc3)C2)[C@H]1c1cccnc1.
What is the InChIKey of (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is OLZRHABSNBSBGV-SLCQCKNWSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-24-18(26)11-17(20(24)14-6-5-9-22-12-14)21(28)23-15-10-19(27)25(13-15)16-7-3-2-4-8-16/h2-9,12,15,17,20H,10-11,13H2,1H3,(H,23,28)/t15?,17-,20+/m0/s1.
What are the key properties of (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide?
(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136584260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).