(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C21H23N3O2 — CID 165427079

IUPAC(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cccnc2C)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H23N3O2/c1-3-7-18-21(16-9-4-5-10-17(16)23-20(21)26)11-13-24(18)19(25)15-8-6-12-22-14(15)2/h4-6,8-10,12,18H,3,7,11,13H2,1-2H3,(H,23,26)/t18-,21+/m0/s1
InChIKeyNBRLWTAKYAVGPK-GHTZIAJQSA-N
MW349.43 g/mol
LogP3.29
Rot. Bonds3

About (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 165427079) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID165427079
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cccnc2C)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H23N3O2/c1-3-7-18-21(16-9-4-5-10-17(16)23-20(21)26)11-13-24(18)19(25)15-8-6-12-22-14(15)2/h4-6,8-10,12,18H,3,7,11,13H2,1-2H3,(H,23,26)/t18-,21+/m0/s1
InChIKeyNBRLWTAKYAVGPK-GHTZIAJQSA-N
XLogP3.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 165427079) is (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2cccnc2C)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NBRLWTAKYAVGPK-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-7-18-21(16-9-4-5-10-17(16)23-20(21)26)11-13-24(18)19(25)15-8-6-12-22-14(15)2/h4-6,8-10,12,18H,3,7,11,13H2,1-2H3,(H,23,26)/t18-,21+/m0/s1.
What are the key properties of (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 165427079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).