3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C16H15ClN4O3 — CID 9021133

IUPAC3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2nnc3ccccn23)cc(Cl)c1OC
InChIInChI=1S/C16H15ClN4O3/c1-23-12-8-10(7-11(17)15(12)24-2)16(22)18-9-14-20-19-13-5-3-4-6-21(13)14/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyUREMFNLCJGCUSV-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.33
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 9021133) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID9021133
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2nnc3ccccn23)cc(Cl)c1OC
InChIInChI=1S/C16H15ClN4O3/c1-23-12-8-10(7-11(17)15(12)24-2)16(22)18-9-14-20-19-13-5-3-4-6-21(13)14/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyUREMFNLCJGCUSV-UHFFFAOYSA-N
XLogP2.33
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 24610482
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39441999
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
3-methoxy-4-prop-2-enoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848760
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 25352878
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 9021133) is 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is COc1cc(C(=O)NCc2nnc3ccccn23)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is UREMFNLCJGCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-23-12-8-10(7-11(17)15(12)24-2)16(22)18-9-14-20-19-13-5-3-4-6-21(13)14/h3-8H,9H2,1-2H3,(H,18,22).
What are the key properties of 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 346.77 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 9021133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).