(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H26N4O2 — CID 166620844

IUPAC(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccc(N(C)C)nc2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H26N4O2/c1-4-7-18-22(16-8-5-6-9-17(16)24-21(22)28)12-13-26(18)20(27)15-10-11-19(23-14-15)25(2)3/h5-6,8-11,14,18H,4,7,12-13H2,1-3H3,(H,24,28)/t18-,22+/m0/s1
InChIKeyJPKVTEARJAUNQC-PGRDOPGGSA-N
MW378.48 g/mol
LogP3.05
Rot. Bonds4

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

(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166620844) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166620844
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccc(N(C)C)nc2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H26N4O2/c1-4-7-18-22(16-8-5-6-9-17(16)24-21(22)28)12-13-26(18)20(27)15-10-11-19(23-14-15)25(2)3/h5-6,8-11,14,18H,4,7,12-13H2,1-3H3,(H,24,28)/t18-,22+/m0/s1
InChIKeyJPKVTEARJAUNQC-PGRDOPGGSA-N
XLogP3.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166620844) is (2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2ccc(N(C)C)nc2)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is JPKVTEARJAUNQC-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-7-18-22(16-8-5-6-9-17(16)24-21(22)28)12-13-26(18)20(27)15-10-11-19(23-14-15)25(2)3/h5-6,8-11,14,18H,4,7,12-13H2,1-3H3,(H,24,28)/t18-,22+/m0/s1.
What are the key properties of (2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 378.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166620844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).