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

C21H16N6O — CID 53233861

IUPACN-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1
InChIInChI=1S/C21H16N6O/c1-14(28)23-18-7-4-6-15(11-18)17-9-10-20-25-21(26-27(20)13-17)24-19-8-3-2-5-16(19)12-22/h2-11,13H,1H3,(H,23,28)(H,24,26)
InChIKeyQBLXKDDYNLAVJN-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.97
Rot. Bonds4

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

N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 53233861) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID53233861
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC NameN-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1
InChIInChI=1S/C21H16N6O/c1-14(28)23-18-7-4-6-15(11-18)17-9-10-20-25-21(26-27(20)13-17)24-19-8-3-2-5-16(19)12-22/h2-11,13H,1H3,(H,23,28)(H,24,26)
InChIKeyQBLXKDDYNLAVJN-UHFFFAOYSA-N
XLogP3.97
TPSA95.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide 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 N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 53233861) is N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc3nc(Nc4ccccc4C#N)nn3c2)c1.
What is the InChIKey of N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is QBLXKDDYNLAVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-14(28)23-18-7-4-6-15(11-18)17-9-10-20-25-21(26-27(20)13-17)24-19-8-3-2-5-16(19)12-22/h2-11,13H,1H3,(H,23,28)(H,24,26).
What are the key properties of N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 53233861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).