2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C21H22N4O3 — CID 96575863

IUPAC2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@]2(CCN(C(=O)CCc3ccncc3)C2)c2ccccc21
InChIInChI=1S/C21H22N4O3/c22-18(26)13-25-17-4-2-1-3-16(17)21(20(25)28)9-12-24(14-21)19(27)6-5-15-7-10-23-11-8-15/h1-4,7-8,10-11H,5-6,9,12-14H2,(H2,22,26)/t21-/m0/s1
InChIKeyDXDRFKXXWMLWPZ-NRFANRHFSA-N
MW378.43 g/mol
LogP1.02
Rot. Bonds5

About 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 96575863) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID96575863
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@]2(CCN(C(=O)CCc3ccncc3)C2)c2ccccc21
InChIInChI=1S/C21H22N4O3/c22-18(26)13-25-17-4-2-1-3-16(17)21(20(25)28)9-12-24(14-21)19(27)6-5-15-7-10-23-11-8-15/h1-4,7-8,10-11H,5-6,9,12-14H2,(H2,22,26)/t21-/m0/s1
InChIKeyDXDRFKXXWMLWPZ-NRFANRHFSA-N
XLogP1.02
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 96575863) is 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is NC(=O)CN1C(=O)[C@]2(CCN(C(=O)CCc3ccncc3)C2)c2ccccc21.
What is the InChIKey of 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is DXDRFKXXWMLWPZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N4O3/c22-18(26)13-25-17-4-2-1-3-16(17)21(20(25)28)9-12-24(14-21)19(27)6-5-15-7-10-23-11-8-15/h1-4,7-8,10-11H,5-6,9,12-14H2,(H2,22,26)/t21-/m0/s1.
What are the key properties of 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 96575863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).