5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide

C18H17ClN4O2 — CID 53190512

IUPAC5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccn2nc(C3CCC3)nc12
InChIInChI=1S/C18H17ClN4O2/c1-25-15-8-7-12(19)10-13(15)18(24)20-14-6-3-9-23-17(14)21-16(22-23)11-4-2-5-11/h3,6-11H,2,4-5H2,1H3,(H,20,24)
InChIKeyOIRXYDKIMRVQBL-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.91
Rot. Bonds4

About 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide

5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide (PubChem CID 53190512) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide
PubChem CID53190512
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccn2nc(C3CCC3)nc12
InChIInChI=1S/C18H17ClN4O2/c1-25-15-8-7-12(19)10-13(15)18(24)20-14-6-3-9-23-17(14)21-16(22-23)11-4-2-5-11/h3,6-11H,2,4-5H2,1H3,(H,20,24)
InChIKeyOIRXYDKIMRVQBL-UHFFFAOYSA-N
XLogP3.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propanamide
CID 53190518
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-fluorobenzamide
CID 53190492
1-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2-methoxyethyl)urea
CID 53190602
5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 3967423
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-phenoxyacetamide
CID 53190515
5-chloro-2-methoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 2953935
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
CID 71807581
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
5-chloro-2-methoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122323354
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117137741
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide
CID 53190700

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide (CID 53190512) is 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cccn2nc(C3CCC3)nc12.
What is the InChIKey of 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide?
The InChIKey is OIRXYDKIMRVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-25-15-8-7-12(19)10-13(15)18(24)20-14-6-3-9-23-17(14)21-16(22-23)11-4-2-5-11/h3,6-11H,2,4-5H2,1H3,(H,20,24).
What are the key properties of 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide?
5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide has a molecular weight of 356.81 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide is sourced from PubChem (CID 53190512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).