(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C19H19N3O2 — CID 38484249

IUPAC(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCc3ccccc32)CN1Cc1ccccn1
InChIInChI=1S/C19H19N3O2/c23-18-11-15(12-21(18)13-16-6-3-4-9-20-16)19(24)22-10-8-14-5-1-2-7-17(14)22/h1-7,9,15H,8,10-13H2/t15-/m0/s1
InChIKeyRKKYDOWGMXIXMS-HNNXBMFYSA-N
MW321.38 g/mol
LogP2.02
Rot. Bonds3

About (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 38484249) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID38484249
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCc3ccccc32)CN1Cc1ccccn1
InChIInChI=1S/C19H19N3O2/c23-18-11-15(12-21(18)13-16-6-3-4-9-20-16)19(24)22-10-8-14-5-1-2-7-17(14)22/h1-7,9,15H,8,10-13H2/t15-/m0/s1
InChIKeyRKKYDOWGMXIXMS-HNNXBMFYSA-N
XLogP2.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458
(4R)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38474545
(3R)-2-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125153665
4-(2,3-dihydroindole-1-carbonyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 113185135
(4S)-4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95532445
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560
4-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 126791996
(3R)-4-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125419089
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843
(4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 100844938
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 38484249) is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is O=C1C[C@H](C(=O)N2CCc3ccccc32)CN1Cc1ccccn1.
What is the InChIKey of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is RKKYDOWGMXIXMS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-11-15(12-21(18)13-16-6-3-4-9-20-16)19(24)22-10-8-14-5-1-2-7-17(14)22/h1-7,9,15H,8,10-13H2/t15-/m0/s1.
What are the key properties of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 38484249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).