3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide

C23H20N6O2 — CID 67216717

IUPAC3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1
InChIInChI=1S/C23H20N6O2/c1-31-12-11-25-22(30)17-7-4-6-16(13-17)19-9-10-21-27-23(28-29(21)15-19)26-20-8-3-2-5-18(20)14-24/h2-10,13,15H,11-12H2,1H3,(H,25,30)(H,26,28)
InChIKeyPTOIAIZXDGLOHM-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.39
Rot. Bonds7

About 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide

3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide (PubChem CID 67216717) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide
PubChem CID67216717
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1
InChIInChI=1S/C23H20N6O2/c1-31-12-11-25-22(30)17-7-4-6-16(13-17)19-9-10-21-27-23(28-29(21)15-19)26-20-8-3-2-5-18(20)14-24/h2-10,13,15H,11-12H2,1H3,(H,25,30)(H,26,28)
InChIKeyPTOIAIZXDGLOHM-UHFFFAOYSA-N
XLogP3.39
TPSA104.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(3,3-dimethylbutan-2-yl)benzamide
CID 77242205
2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
CID 159043837
N-[2-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
CID 67216719
N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 53234590
2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
CID 67216001
3-methoxy-N-(2-methylsulfonylethyl)-4-[[6-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 67216922
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
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
6-N-(2-cyanophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095810
1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea
CID 53234900
2-(2-cyanoanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251843

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide (CID 67216717) is 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1.
What is the InChIKey of 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide?
The InChIKey is PTOIAIZXDGLOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-31-12-11-25-22(30)17-7-4-6-16(13-17)19-9-10-21-27-23(28-29(21)15-19)26-20-8-3-2-5-18(20)14-24/h2-10,13,15H,11-12H2,1H3,(H,25,30)(H,26,28).
What are the key properties of 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide?
3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide has a molecular weight of 412.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 67216717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).