3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide

C26H25N5O3 — CID 18447682

IUPAC3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
SMILESN#Cc1c[nH]c2ccc(C(=O)NCC3CC(=O)N(c4ccc(N5CCCCC5=O)cc4)C3)cc12
InChIInChI=1S/C26H25N5O3/c27-13-19-15-28-23-9-4-18(12-22(19)23)26(34)29-14-17-11-25(33)31(16-17)21-7-5-20(6-8-21)30-10-2-1-3-24(30)32/h4-9,12,15,17,28H,1-3,10-11,14,16H2,(H,29,34)
InChIKeyXTHPGWIJVXAWOK-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.34
Rot. Bonds5

About 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide

3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide (PubChem CID 18447682) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
PubChem CID18447682
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
SMILESN#Cc1c[nH]c2ccc(C(=O)NCC3CC(=O)N(c4ccc(N5CCCCC5=O)cc4)C3)cc12
InChIInChI=1S/C26H25N5O3/c27-13-19-15-28-23-9-4-18(12-22(19)23)26(34)29-14-17-11-25(33)31(16-17)21-7-5-20(6-8-21)30-10-2-1-3-24(30)32/h4-9,12,15,17,28H,1-3,10-11,14,16H2,(H,29,34)
InChIKeyXTHPGWIJVXAWOK-UHFFFAOYSA-N
XLogP3.34
TPSA109.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide with MolForge

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Related Compounds

4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 11177781
4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
CID 11225164
5-chloro-N-[[(3S)-5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 70307360
2-(3-carbamoylphenyl)-4-fluoro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 69107525
3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide
CID 18447636
N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 18448015
4-tert-butyl-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918670
3-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]-1,2-benzoxazole-5-carboxamide
CID 18447657
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16919059
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide (CID 18447682) is 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide is N#Cc1c[nH]c2ccc(C(=O)NCC3CC(=O)N(c4ccc(N5CCCCC5=O)cc4)C3)cc12.
What is the InChIKey of 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide?
The InChIKey is XTHPGWIJVXAWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c27-13-19-15-28-23-9-4-18(12-22(19)23)26(34)29-14-17-11-25(33)31(16-17)21-7-5-20(6-8-21)30-10-2-1-3-24(30)32/h4-9,12,15,17,28H,1-3,10-11,14,16H2,(H,29,34).
What are the key properties of 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide?
3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 18447682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).