3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C16H13N5O2 — CID 112523584

IUPAC3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccn4c(C)nnc4c3)cc2o1
InChIInChI=1S/C16H13N5O2/c1-9-19-20-15-7-11(5-6-21(9)15)16(22)18-12-3-4-13-14(8-12)23-10(2)17-13/h3-8H,1-2H3,(H,18,22)
InChIKeyUZFCZVKTGJAGEH-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.74
Rot. Bonds2

About 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 112523584) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID112523584
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccn4c(C)nnc4c3)cc2o1
InChIInChI=1S/C16H13N5O2/c1-9-19-20-15-7-11(5-6-21(9)15)16(22)18-12-3-4-13-14(8-12)23-10(2)17-13/h3-8H,1-2H3,(H,18,22)
InChIKeyUZFCZVKTGJAGEH-UHFFFAOYSA-N
XLogP2.74
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide with MolForge

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Related Compounds

N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577641
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86921797
N-(2-hydroxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577723
5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 87000879
N-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112525565
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 86921862
N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765337
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 112523584) is 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is Cc1nc2ccc(NC(=O)c3ccn4c(C)nnc4c3)cc2o1.
What is the InChIKey of 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is UZFCZVKTGJAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-9-19-20-15-7-11(5-6-21(9)15)16(22)18-12-3-4-13-14(8-12)23-10(2)17-13/h3-8H,1-2H3,(H,18,22).
What are the key properties of 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 112523584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).