(2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H27N3O3 — CID 166616559

IUPAC(2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccc(=O)[nH]c2C(C)C)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H27N3O3/c1-4-7-18-23(16-8-5-6-9-17(16)24-22(23)29)12-13-26(18)21(28)15-10-11-19(27)25-20(15)14(2)3/h5-6,8-11,14,18H,4,7,12-13H2,1-3H3,(H,24,29)(H,25,27)/t18-,23-/m0/s1
InChIKeyGHDPQVQHPKOGEN-MBSDFSHPSA-N
MW393.49 g/mol
LogP3.40
Rot. Bonds4

About (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166616559) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166616559
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccc(=O)[nH]c2C(C)C)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H27N3O3/c1-4-7-18-23(16-8-5-6-9-17(16)24-22(23)29)12-13-26(18)21(28)15-10-11-19(27)25-20(15)14(2)3/h5-6,8-11,14,18H,4,7,12-13H2,1-3H3,(H,24,29)(H,25,27)/t18-,23-/m0/s1
InChIKeyGHDPQVQHPKOGEN-MBSDFSHPSA-N
XLogP3.40
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166616559) is (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2ccc(=O)[nH]c2C(C)C)CC[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is GHDPQVQHPKOGEN-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-7-18-23(16-8-5-6-9-17(16)24-22(23)29)12-13-26(18)21(28)15-10-11-19(27)25-20(15)14(2)3/h5-6,8-11,14,18H,4,7,12-13H2,1-3H3,(H,24,29)(H,25,27)/t18-,23-/m0/s1.
What are the key properties of (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 393.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166616559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).