N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide

C24H24N4O3 — CID 67793524

IUPACN-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1C(=O)N(c2ccccc2)C[C@H]1C(=O)N1CCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H24N4O3/c29-22(20-14-16-8-4-5-11-19(16)25-20)26-21-18(23(30)27-12-6-7-13-27)15-28(24(21)31)17-9-2-1-3-10-17/h1-5,8-11,14,18,21,25H,6-7,12-13,15H2,(H,26,29)/t18-,21+/m1/s1
InChIKeyGSCDCUREXBBWDA-NQIIRXRSSA-N
MW416.48 g/mol
LogP2.55
Rot. Bonds4

About N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide

N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 67793524) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID67793524
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1C(=O)N(c2ccccc2)C[C@H]1C(=O)N1CCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H24N4O3/c29-22(20-14-16-8-4-5-11-19(16)25-20)26-21-18(23(30)27-12-6-7-13-27)15-28(24(21)31)17-9-2-1-3-10-17/h1-5,8-11,14,18,21,25H,6-7,12-13,15H2,(H,26,29)/t18-,21+/m1/s1
InChIKeyGSCDCUREXBBWDA-NQIIRXRSSA-N
XLogP2.55
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 67793524) is N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide is O=C(N[C@@H]1C(=O)N(c2ccccc2)C[C@H]1C(=O)N1CCCC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is GSCDCUREXBBWDA-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-22(20-14-16-8-4-5-11-19(16)25-20)26-21-18(23(30)27-12-6-7-13-27)15-28(24(21)31)17-9-2-1-3-10-17/h1-5,8-11,14,18,21,25H,6-7,12-13,15H2,(H,26,29)/t18-,21+/m1/s1.
What are the key properties of N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-2-oxo-1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67793524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).