4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C18H16ClN5O2 — CID 55414270

IUPAC4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C18H16ClN5O2/c19-12-6-7-13(14(10-12)23-9-3-5-17(23)25)18(26)20-11-16-22-21-15-4-1-2-8-24(15)16/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,26)
InChIKeyYSUCGFFDWUFREB-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.44
Rot. Bonds4

About 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 55414270) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID55414270
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C18H16ClN5O2/c19-12-6-7-13(14(10-12)23-9-3-5-17(23)25)18(26)20-11-16-22-21-15-4-1-2-8-24(15)16/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,26)
InChIKeyYSUCGFFDWUFREB-UHFFFAOYSA-N
XLogP2.44
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773
4-chloro-N-[2-(2-fluorophenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 39996714
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35151310
4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 42889160
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
1-(2-fluorophenyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 46531688
2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848577
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 66484521
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
CID 9153351

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 55414270) is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is YSUCGFFDWUFREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-12-6-7-13(14(10-12)23-9-3-5-17(23)25)18(26)20-11-16-22-21-15-4-1-2-8-24(15)16/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,26).
What are the key properties of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 369.81 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 55414270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).