3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C21H16FN5O2 — CID 53157931

IUPAC3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Cc1nnc2ccc(C(=O)Nc3ccccc3)cn12)Nc1cccc(F)c1
InChIInChI=1S/C21H16FN5O2/c22-15-5-4-8-17(11-15)23-20(28)12-19-26-25-18-10-9-14(13-27(18)19)21(29)24-16-6-2-1-3-7-16/h1-11,13H,12H2,(H,23,28)(H,24,29)
InChIKeyAXCVPJVTLKRXPS-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.30
Rot. Bonds5

About 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 53157931) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID53157931
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Cc1nnc2ccc(C(=O)Nc3ccccc3)cn12)Nc1cccc(F)c1
InChIInChI=1S/C21H16FN5O2/c22-15-5-4-8-17(11-15)23-20(28)12-19-26-25-18-10-9-14(13-27(18)19)21(29)24-16-6-2-1-3-7-16/h1-11,13H,12H2,(H,23,28)(H,24,29)
InChIKeyAXCVPJVTLKRXPS-UHFFFAOYSA-N
XLogP3.30
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

3-(4-benzyl-1-methylpiperazin-2-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131646668
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea
CID 53014344
4-(2-amino-2-sulfanylideneethyl)-N-(3-fluorophenyl)benzamide
CID 82179496
N-(4-methylphenyl)-3-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 171146029
3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50833345
N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577641
N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide
CID 54788417
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-(3-fluorophenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 9072418
3-iodo-N-(3-phenylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167944597
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 53157931) is 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(Cc1nnc2ccc(C(=O)Nc3ccccc3)cn12)Nc1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is AXCVPJVTLKRXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-15-5-4-8-17(11-15)23-20(28)12-19-26-25-18-10-9-14(13-27(18)19)21(29)24-16-6-2-1-3-7-16/h1-11,13H,12H2,(H,23,28)(H,24,29).
What are the key properties of 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 53157931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).