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

C19H15N5O — CID 67293656

IUPAC3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
SMILESNC(=O)c1cccc(-c2cccc3nc(Nc4ccccc4)nn23)c1
InChIInChI=1S/C19H15N5O/c20-18(25)14-7-4-6-13(12-14)16-10-5-11-17-22-19(23-24(16)17)21-15-8-2-1-3-9-15/h1-12H,(H2,20,25)(H,21,23)
InChIKeyDKMNYOTYDGIQIY-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.24
Rot. Bonds4

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

3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide (PubChem CID 67293656) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
PubChem CID67293656
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
SMILESNC(=O)c1cccc(-c2cccc3nc(Nc4ccccc4)nn23)c1
InChIInChI=1S/C19H15N5O/c20-18(25)14-7-4-6-13(12-14)16-10-5-11-17-22-19(23-24(16)17)21-15-8-2-1-3-9-15/h1-12H,(H2,20,25)(H,21,23)
InChIKeyDKMNYOTYDGIQIY-UHFFFAOYSA-N
XLogP3.24
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide?
The IUPAC name of 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide (CID 67293656) is 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide?
The canonical SMILES for 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide is NC(=O)c1cccc(-c2cccc3nc(Nc4ccccc4)nn23)c1.
What is the InChIKey of 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide?
The InChIKey is DKMNYOTYDGIQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-18(25)14-7-4-6-13(12-14)16-10-5-11-17-22-19(23-24(16)17)21-15-8-2-1-3-9-15/h1-12H,(H2,20,25)(H,21,23).
What are the key properties of 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide?
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide is sourced from PubChem (CID 67293656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).