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

C20H18N6O2 — CID 91631873

IUPACN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)C4(c5ccccc5)CC4)nnc3c2)n1
InChIInChI=1S/C20H18N6O2/c1-13-22-18(28-25-13)14-7-10-26-16(11-14)23-24-17(26)12-21-19(27)20(8-9-20)15-5-3-2-4-6-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,27)
InChIKeyAODRELGQGXECBX-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.44
Rot. Bonds5

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

N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 91631873) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 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]-1-phenylcyclopropane-1-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]-1-phenylcyclopropane-1-carboxamide
PubChem CID91631873
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)C4(c5ccccc5)CC4)nnc3c2)n1
InChIInChI=1S/C20H18N6O2/c1-13-22-18(28-25-13)14-7-10-26-16(11-14)23-24-17(26)12-21-19(27)20(8-9-20)15-5-3-2-4-6-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,27)
InChIKeyAODRELGQGXECBX-UHFFFAOYSA-N
XLogP2.44
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-1-phenylcyclopropane-1-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]-1-phenylcyclopropane-1-carboxamide (CID 91631873) is N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-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]-1-phenylcyclopropane-1-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]-1-phenylcyclopropane-1-carboxamide is Cc1noc(-c2ccn3c(CNC(=O)C4(c5ccccc5)CC4)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]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is AODRELGQGXECBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-22-18(28-25-13)14-7-10-26-16(11-14)23-24-17(26)12-21-19(27)20(8-9-20)15-5-3-2-4-6-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,27).
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]-1-phenylcyclopropane-1-carboxamide?
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 91631873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).