2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C19H21N5O2 — CID 70778039

IUPAC2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCCc1cc(N2CCC3(C2)C(=O)N(CC(N)=O)c2ccccc23)ncn1
InChIInChI=1S/C19H21N5O2/c1-2-13-9-17(22-12-21-13)23-8-7-19(11-23)14-5-3-4-6-15(14)24(18(19)26)10-16(20)25/h3-6,9,12H,2,7-8,10-11H2,1H3,(H2,20,25)
InChIKeyCESWQNWFLRNWCE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.02
Rot. Bonds4

About 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 70778039) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID70778039
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCCc1cc(N2CCC3(C2)C(=O)N(CC(N)=O)c2ccccc23)ncn1
InChIInChI=1S/C19H21N5O2/c1-2-13-9-17(22-12-21-13)23-8-7-19(11-23)14-5-3-4-6-15(14)24(18(19)26)10-16(20)25/h3-6,9,12H,2,7-8,10-11H2,1H3,(H2,20,25)
InChIKeyCESWQNWFLRNWCE-UHFFFAOYSA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 70778039) is 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is CCc1cc(N2CCC3(C2)C(=O)N(CC(N)=O)c2ccccc23)ncn1.
What is the InChIKey of 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is CESWQNWFLRNWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-13-9-17(22-12-21-13)23-8-7-19(11-23)14-5-3-4-6-15(14)24(18(19)26)10-16(20)25/h3-6,9,12H,2,7-8,10-11H2,1H3,(H2,20,25).
What are the key properties of 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(6-ethylpyrimidin-4-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 70778039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).