4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C21H16N6O2 — CID 44624361

IUPAC4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESN#CCOc1ccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)cc1
InChIInChI=1S/C21H16N6O2/c22-12-13-29-17-10-6-14(7-11-17)18-2-1-3-19-25-21(26-27(18)19)24-16-8-4-15(5-9-16)20(23)28/h1-11H,13H2,(H2,23,28)(H,24,26)
InChIKeyIKAMIIHNOWDSKM-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.14
Rot. Bonds6

About 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 44624361) has the molecular formula C21H16N6O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID44624361
Molecular FormulaC21H16N6O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC Name4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESN#CCOc1ccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)cc1
InChIInChI=1S/C21H16N6O2/c22-12-13-29-17-10-6-14(7-11-17)18-2-1-3-19-25-21(26-27(18)19)24-16-8-4-15(5-9-16)20(23)28/h1-11H,13H2,(H2,23,28)(H,24,26)
InChIKeyIKAMIIHNOWDSKM-UHFFFAOYSA-N
XLogP3.14
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 44624361) is 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is N#CCOc1ccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)cc1.
What is the InChIKey of 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is IKAMIIHNOWDSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2/c22-12-13-29-17-10-6-14(7-11-17)18-2-1-3-19-25-21(26-27(18)19)24-16-8-4-15(5-9-16)20(23)28/h1-11H,13H2,(H2,23,28)(H,24,26).
What are the key properties of 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 384.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 44624361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).