N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C19H19N5O3 — CID 134007097

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19N5O3/c25-17(13-24-19(27)23-10-2-1-4-16(23)21-24)20-12-14-6-8-15(9-7-14)22-11-3-5-18(22)26/h1-2,4,6-10H,3,5,11-13H2,(H,20,25)
InChIKeyZWTMOTGOBOYOAB-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.94
Rot. Bonds5

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 134007097) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID134007097
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19N5O3/c25-17(13-24-19(27)23-10-2-1-4-16(23)21-24)20-12-14-6-8-15(9-7-14)22-11-3-5-18(22)26/h1-2,4,6-10H,3,5,11-13H2,(H,20,25)
InChIKeyZWTMOTGOBOYOAB-UHFFFAOYSA-N
XLogP0.94
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 134007097) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is ZWTMOTGOBOYOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-17(13-24-19(27)23-10-2-1-4-16(23)21-24)20-12-14-6-8-15(9-7-14)22-11-3-5-18(22)26/h1-2,4,6-10H,3,5,11-13H2,(H,20,25).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 134007097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).