N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

C21H22N4O3 — CID 123762700

IUPACN-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CC3(CNc4ccccc43)C(=O)N2)cc1
InChIInChI=1S/C21H22N4O3/c1-25(2)19(27)13-7-9-14(10-8-13)23-18(26)17-11-21(20(28)24-17)12-22-16-6-4-3-5-15(16)21/h3-10,17,22H,11-12H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyBGHYYOKNOIEDMF-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.58
Rot. Bonds3

About N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 123762700) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID123762700
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CC3(CNc4ccccc43)C(=O)N2)cc1
InChIInChI=1S/C21H22N4O3/c1-25(2)19(27)13-7-9-14(10-8-13)23-18(26)17-11-21(20(28)24-17)12-22-16-6-4-3-5-15(16)21/h3-10,17,22H,11-12H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyBGHYYOKNOIEDMF-UHFFFAOYSA-N
XLogP1.58
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5'-oxo-N-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 141300537
N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 123293264
2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 123298132
N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172708107
2-oxo-N-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123527468
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 43702382
(2R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119684891
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172710291
4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide
CID 114996355
N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172757933

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (CID 123762700) is N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is CN(C)C(=O)c1ccc(NC(=O)C2CC3(CNc4ccccc43)C(=O)N2)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is BGHYYOKNOIEDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25(2)19(27)13-7-9-14(10-8-13)23-18(26)17-11-21(20(28)24-17)12-22-16-6-4-3-5-15(16)21/h3-10,17,22H,11-12H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 123762700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).