(2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C21H23N3O3 — CID 166615299

IUPAC(2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cc(OC)ccn2)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H23N3O3/c1-3-6-18-21(15-7-4-5-8-16(15)23-20(21)26)10-12-24(18)19(25)17-13-14(27-2)9-11-22-17/h4-5,7-9,11,13,18H,3,6,10,12H2,1-2H3,(H,23,26)/t18-,21-/m0/s1
InChIKeyMZYTVTVWECIJCU-RXVVDRJESA-N
MW365.43 g/mol
LogP2.99
Rot. Bonds4

About (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166615299) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166615299
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cc(OC)ccn2)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H23N3O3/c1-3-6-18-21(15-7-4-5-8-16(15)23-20(21)26)10-12-24(18)19(25)17-13-14(27-2)9-11-22-17/h4-5,7-9,11,13,18H,3,6,10,12H2,1-2H3,(H,23,26)/t18-,21-/m0/s1
InChIKeyMZYTVTVWECIJCU-RXVVDRJESA-N
XLogP2.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166615299) is (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2cc(OC)ccn2)CC[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is MZYTVTVWECIJCU-RXVVDRJESA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-6-18-21(15-7-4-5-8-16(15)23-20(21)26)10-12-24(18)19(25)17-13-14(27-2)9-11-22-17/h4-5,7-9,11,13,18H,3,6,10,12H2,1-2H3,(H,23,26)/t18-,21-/m0/s1.
What are the key properties of (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166615299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).