2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

C17H18N4O — CID 24535728

IUPAC2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCCc2nnc3ccccn23)c1
InChIInChI=1S/C17H18N4O/c1-12-6-7-13(2)14(11-12)17(22)18-9-8-16-20-19-15-5-3-4-10-21(15)16/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)
InChIKeyLCKVNUOFPBQFGJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.32
Rot. Bonds4

About 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 24535728) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID24535728
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCCc2nnc3ccccn23)c1
InChIInChI=1S/C17H18N4O/c1-12-6-7-13(2)14(11-12)17(22)18-9-8-16-20-19-15-5-3-4-10-21(15)16/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)
InChIKeyLCKVNUOFPBQFGJ-UHFFFAOYSA-N
XLogP2.32
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 42279085
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24654863
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
1-(4-methylphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 36747022
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 24535728) is 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is Cc1ccc(C)c(C(=O)NCCc2nnc3ccccn23)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is LCKVNUOFPBQFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-6-7-13(2)14(11-12)17(22)18-9-8-16-20-19-15-5-3-4-10-21(15)16/h3-7,10-11H,8-9H2,1-2H3,(H,18,22).
What are the key properties of 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 294.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 24535728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).