N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide

C13H13N7O2 — CID 86263621

IUPACN-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide
SMILESCc1noc(-c2cn(CCNC(=O)c3cccnc3)nn2)n1
InChIInChI=1S/C13H13N7O2/c1-9-16-13(22-18-9)11-8-20(19-17-11)6-5-15-12(21)10-3-2-4-14-7-10/h2-4,7-8H,5-6H2,1H3,(H,15,21)
InChIKeyXUZDHTJOYMCBCE-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.46
Rot. Bonds5

About N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide

N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 86263621) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID86263621
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide
SMILESCc1noc(-c2cn(CCNC(=O)c3cccnc3)nn2)n1
InChIInChI=1S/C13H13N7O2/c1-9-16-13(22-18-9)11-8-20(19-17-11)6-5-15-12(21)10-3-2-4-14-7-10/h2-4,7-8H,5-6H2,1H3,(H,15,21)
InChIKeyXUZDHTJOYMCBCE-UHFFFAOYSA-N
XLogP0.46
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide (CID 86263621) is N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide is Cc1noc(-c2cn(CCNC(=O)c3cccnc3)nn2)n1.
What is the InChIKey of N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is XUZDHTJOYMCBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2/c1-9-16-13(22-18-9)11-8-20(19-17-11)6-5-15-12(21)10-3-2-4-14-7-10/h2-4,7-8H,5-6H2,1H3,(H,15,21).
What are the key properties of N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide?
N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 86263621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).