3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide

C17H14N6O2 — CID 155963899

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)NCc3ccc4nncn4c3)c2)o1
InChIInChI=1S/C17H14N6O2/c1-11-20-22-17(25-11)14-4-2-3-13(7-14)16(24)18-8-12-5-6-15-21-19-10-23(15)9-12/h2-7,9-10H,8H2,1H3,(H,18,24)
InChIKeyCOLZJNCKOFPXHD-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.02
Rot. Bonds4

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide (PubChem CID 155963899) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide
PubChem CID155963899
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)NCc3ccc4nncn4c3)c2)o1
InChIInChI=1S/C17H14N6O2/c1-11-20-22-17(25-11)14-4-2-3-13(7-14)16(24)18-8-12-5-6-15-21-19-10-23(15)9-12/h2-7,9-10H,8H2,1H3,(H,18,24)
InChIKeyCOLZJNCKOFPXHD-UHFFFAOYSA-N
XLogP2.02
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 99817536
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410
N-methyl-4-[[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]methyl]benzamide
CID 10225261
N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166571517
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 166416546
[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 155948637
N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866629
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 95904490
N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53173201
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182442
N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166180288

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide (CID 155963899) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide is Cc1nnc(-c2cccc(C(=O)NCc3ccc4nncn4c3)c2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide?
The InChIKey is COLZJNCKOFPXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-11-20-22-17(25-11)14-4-2-3-13(7-14)16(24)18-8-12-5-6-15-21-19-10-23(15)9-12/h2-7,9-10H,8H2,1H3,(H,18,24).
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide has a molecular weight of 334.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide is sourced from PubChem (CID 155963899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).