N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide

C16H13N7O2 — CID 91893207

IUPACN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4ccncc4)nnc3c2)n1
InChIInChI=1S/C16H13N7O2/c1-10-19-16(25-22-10)12-4-7-23-13(8-12)20-21-14(23)9-18-15(24)11-2-5-17-6-3-11/h2-8H,9H2,1H3,(H,18,24)
InChIKeyODMYHENKHMMIPI-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.41
Rot. Bonds4

About N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide

N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 91893207) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide
PubChem CID91893207
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4ccncc4)nnc3c2)n1
InChIInChI=1S/C16H13N7O2/c1-10-19-16(25-22-10)12-4-7-23-13(8-12)20-21-14(23)9-18-15(24)11-2-5-17-6-3-11/h2-8H,9H2,1H3,(H,18,24)
InChIKeyODMYHENKHMMIPI-UHFFFAOYSA-N
XLogP1.41
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide (CID 91893207) is N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide is Cc1noc(-c2ccn3c(CNC(=O)c4ccncc4)nnc3c2)n1.
What is the InChIKey of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is ODMYHENKHMMIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-10-19-16(25-22-10)12-4-7-23-13(8-12)20-21-14(23)9-18-15(24)11-2-5-17-6-3-11/h2-8H,9H2,1H3,(H,18,24).
What are the key properties of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide?
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 91893207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).