N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C21H22N4O3 — CID 172710291

IUPACN-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)CCc1ccc(NC(=O)C2CC3(CN2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C21H22N4O3/c22-18(26)10-7-13-5-8-14(9-6-13)24-19(27)17-11-21(12-23-17)15-3-1-2-4-16(15)25-20(21)28/h1-6,8-9,17,23H,7,10-12H2,(H2,22,26)(H,24,27)(H,25,28)
InChIKeyFDSNNXVJCMBMQN-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.29
Rot. Bonds5

About N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 172710291) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID172710291
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)CCc1ccc(NC(=O)C2CC3(CN2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C21H22N4O3/c22-18(26)10-7-13-5-8-14(9-6-13)24-19(27)17-11-21(12-23-17)15-3-1-2-4-16(15)25-20(21)28/h1-6,8-9,17,23H,7,10-12H2,(H2,22,26)(H,24,27)(H,25,28)
InChIKeyFDSNNXVJCMBMQN-UHFFFAOYSA-N
XLogP1.29
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123527468
N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172708107
(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
CID 163846050
N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172684257
N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172757933
5'-oxo-N-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 141300537
5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 175928748
5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67227597
N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 123762700
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 123298132
(1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide
CID 58286369

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 172710291) is N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is NC(=O)CCc1ccc(NC(=O)C2CC3(CN2)C(=O)Nc2ccccc23)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is FDSNNXVJCMBMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c22-18(26)10-7-13-5-8-14(9-6-13)24-19(27)17-11-21(12-23-17)15-3-1-2-4-16(15)25-20(21)28/h1-6,8-9,17,23H,7,10-12H2,(H2,22,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 172710291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).