2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

C20H20ClN5O2 — CID 126792529

IUPAC2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESCC(C)c1nnc2ccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)cn12
InChIInChI=1S/C20H20ClN5O2/c1-12(2)19-24-23-17-8-5-13(11-26(17)19)22-20(28)15-10-14(6-7-16(15)21)25-9-3-4-18(25)27/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,28)
InChIKeyQVFXXXJZSVDBRC-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.89
Rot. Bonds4

About 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (PubChem CID 126792529) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
PubChem CID126792529
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESCC(C)c1nnc2ccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)cn12
InChIInChI=1S/C20H20ClN5O2/c1-12(2)19-24-23-17-8-5-13(11-26(17)19)22-20(28)15-10-14(6-7-16(15)21)25-9-3-4-18(25)27/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,28)
InChIKeyQVFXXXJZSVDBRC-UHFFFAOYSA-N
XLogP3.89
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 50846563
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide
CID 97109112
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide
CID 46549243
2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92684315
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
CID 47352609
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 60540482
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 48987924
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The IUPAC name of 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (CID 126792529) is 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The canonical SMILES for 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is CC(C)c1nnc2ccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)cn12.
What is the InChIKey of 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The InChIKey is QVFXXXJZSVDBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-12(2)19-24-23-17-8-5-13(11-26(17)19)22-20(28)15-10-14(6-7-16(15)21)25-9-3-4-18(25)27/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,28).
What are the key properties of 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide has a molecular weight of 397.87 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 126792529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).