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

C20H17N5O — CID 141394362

IUPACN-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nc3cccc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C20H17N5O/c1-21-19(26)15-10-12-16(13-11-15)22-20-23-18-9-5-8-17(25(18)24-20)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,26)(H,22,24)
InChIKeyGPFQKLGFQVJFTO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.50
Rot. Bonds4

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

N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide (PubChem CID 141394362) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
PubChem CID141394362
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nc3cccc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C20H17N5O/c1-21-19(26)15-10-12-16(13-11-15)22-20-23-18-9-5-8-17(25(18)24-20)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,26)(H,22,24)
InChIKeyGPFQKLGFQVJFTO-UHFFFAOYSA-N
XLogP3.50
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
The IUPAC name of N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide (CID 141394362) is N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide.
What is the SMILES notation for N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
The canonical SMILES for N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide is CNC(=O)c1ccc(Nc2nc3cccc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
The InChIKey is GPFQKLGFQVJFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-21-19(26)15-10-12-16(13-11-15)22-20-23-18-9-5-8-17(25(18)24-20)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,26)(H,22,24).
What are the key properties of N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide is sourced from PubChem (CID 141394362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).