N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C20H20N4O2 — CID 72851780

IUPACN-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2[nH]ccc2c1)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C20H20N4O2/c25-19-10-17(13-24(19)12-14-3-6-21-7-4-14)20(26)23-11-15-1-2-18-16(9-15)5-8-22-18/h1-9,17,22H,10-13H2,(H,23,26)
InChIKeyGWYFXRLWPGUZBM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.23
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72851780) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72851780
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2[nH]ccc2c1)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C20H20N4O2/c25-19-10-17(13-24(19)12-14-3-6-21-7-4-14)20(26)23-11-15-1-2-18-16(9-15)5-8-22-18/h1-9,17,22H,10-13H2,(H,23,26)
InChIKeyGWYFXRLWPGUZBM-UHFFFAOYSA-N
XLogP2.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72926887
4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one
CID 168688717
1-[2-(4-chlorophenyl)ethyl]-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113185012
N-[2-(3,5-difluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74234232
5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42882093
(3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97190729
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 72854717
1-benzyl-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 47740008
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95625398
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113184135

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 72851780) is N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccc2[nH]ccc2c1)C1CC(=O)N(Cc2ccncc2)C1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is GWYFXRLWPGUZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19-10-17(13-24(19)12-14-3-6-21-7-4-14)20(26)23-11-15-1-2-18-16(9-15)5-8-22-18/h1-9,17,22H,10-13H2,(H,23,26).
What are the key properties of N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72851780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).