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

C27H20N6O — CID 53234663

IUPACN-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
SMILESN#Cc1ccccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cn2n1
InChIInChI=1S/C27H20N6O/c28-17-21-8-4-5-9-24(21)30-27-31-25-15-12-22(18-33(25)32-27)20-10-13-23(14-11-20)29-26(34)16-19-6-2-1-3-7-19/h1-15,18H,16H2,(H,29,34)(H,30,32)
InChIKeyRPGJGJRXGBZPLW-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.19
Rot. Bonds6

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

N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide (PubChem CID 53234663) has the molecular formula C27H20N6O and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
PubChem CID53234663
Molecular FormulaC27H20N6O
Molecular Weight444.50 g/mol
Exact Mass444.17
IUPAC NameN-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
SMILESN#Cc1ccccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cn2n1
InChIInChI=1S/C27H20N6O/c28-17-21-8-4-5-9-24(21)30-27-31-25-15-12-22(18-33(25)32-27)20-10-13-23(14-11-20)29-26(34)16-19-6-2-1-3-7-19/h1-15,18H,16H2,(H,29,34)(H,30,32)
InChIKeyRPGJGJRXGBZPLW-UHFFFAOYSA-N
XLogP5.19
TPSA95.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide 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-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide (CID 53234663) is N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide is N#Cc1ccccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cn2n1.
What is the InChIKey of N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide?
The InChIKey is RPGJGJRXGBZPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6O/c28-17-21-8-4-5-9-24(21)30-27-31-25-15-12-22(18-33(25)32-27)20-10-13-23(14-11-20)29-26(34)16-19-6-2-1-3-7-19/h1-15,18H,16H2,(H,29,34)(H,30,32).
What are the key properties of N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide?
N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide has a molecular weight of 444.50 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 53234663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).