N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide

C28H22N6O2 — CID 53234590

IUPACN-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(-c3ccc4nc(Nc5ccccc5C#N)nn4c3)cc2)c1
InChIInChI=1S/C28H22N6O2/c1-36-24-7-4-5-19(15-24)16-27(35)30-23-12-9-20(10-13-23)22-11-14-26-32-28(33-34(26)18-22)31-25-8-3-2-6-21(25)17-29/h2-15,18H,16H2,1H3,(H,30,35)(H,31,33)
InChIKeyRSLXDPIBONSYCD-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.20
Rot. Bonds7

About N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide

N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 53234590) has the molecular formula C28H22N6O2 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID53234590
Molecular FormulaC28H22N6O2
Molecular Weight474.52 g/mol
Exact Mass474.18
IUPAC NameN-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(-c3ccc4nc(Nc5ccccc5C#N)nn4c3)cc2)c1
InChIInChI=1S/C28H22N6O2/c1-36-24-7-4-5-19(15-24)16-27(35)30-23-12-9-20(10-13-23)22-11-14-26-32-28(33-34(26)18-22)31-25-8-3-2-6-21(25)17-29/h2-15,18H,16H2,1H3,(H,30,35)(H,31,33)
InChIKeyRSLXDPIBONSYCD-UHFFFAOYSA-N
XLogP5.20
TPSA104.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
CID 66574821
3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide
CID 67216717
N-[2-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
CID 67216719
2-[[6-[4-(4,4,4-trifluoro-2-oxobutyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
CID 158101611
2-[[6-[4-(3,3-difluoro-2-oxo-3-phenylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
CID 158078312
2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
CID 67216001
3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(3,3-dimethylbutan-2-yl)benzamide
CID 77242205
1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea
CID 53234900
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 70980322
3-ethoxy-N-ethyl-4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 66574856
N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
CID 30874438
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide (CID 53234590) is N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc(-c3ccc4nc(Nc5ccccc5C#N)nn4c3)cc2)c1.
What is the InChIKey of N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is RSLXDPIBONSYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O2/c1-36-24-7-4-5-19(15-24)16-27(35)30-23-12-9-20(10-13-23)22-11-14-26-32-28(33-34(26)18-22)31-25-8-3-2-6-21(25)17-29/h2-15,18H,16H2,1H3,(H,30,35)(H,31,33).
What are the key properties of N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 474.52 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 53234590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).