4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C20H14N6O — CID 59276580

IUPAC4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESN#Cc1cccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)c1
InChIInChI=1S/C20H14N6O/c21-12-13-3-1-4-15(11-13)17-5-2-6-18-24-20(25-26(17)18)23-16-9-7-14(8-10-16)19(22)27/h1-11H,(H2,22,27)(H,23,25)
InChIKeyXBCQWWBXKODVKD-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.11
Rot. Bonds4

About 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 59276580) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID59276580
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESN#Cc1cccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)c1
InChIInChI=1S/C20H14N6O/c21-12-13-3-1-4-15(11-13)17-5-2-6-18-24-20(25-26(17)18)23-16-9-7-14(8-10-16)19(22)27/h1-11H,(H2,22,27)(H,23,25)
InChIKeyXBCQWWBXKODVKD-UHFFFAOYSA-N
XLogP3.11
TPSA109.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 59276580) is 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is N#Cc1cccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)c1.
What is the InChIKey of 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is XBCQWWBXKODVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c21-12-13-3-1-4-15(11-13)17-5-2-6-18-24-20(25-26(17)18)23-16-9-7-14(8-10-16)19(22)27/h1-11H,(H2,22,27)(H,23,25).
What are the key properties of 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 354.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 59276580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).