2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C24H21N5O4 — CID 53128399

IUPAC2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c1
InChIInChI=1S/C24H21N5O4/c1-16(30)18-8-5-9-20(12-18)26-22(31)15-29-24(33)28-14-19(10-11-21(28)27-29)23(32)25-13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,25,32)(H,26,31)
InChIKeyCVZAKNXMNVIODR-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.27
Rot. Bonds7

About 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 53128399) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID53128399
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c1
InChIInChI=1S/C24H21N5O4/c1-16(30)18-8-5-9-20(12-18)26-22(31)15-29-24(33)28-14-19(10-11-21(28)27-29)23(32)25-13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,25,32)(H,26,31)
InChIKeyCVZAKNXMNVIODR-UHFFFAOYSA-N
XLogP2.27
TPSA114.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-benzyl-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128417
N-benzyl-2-[2-(4-methylsulfonylanilino)-2-oxoethyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128452
N-benzyl-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128434
ethyl 4-[[2-[6-(benzylcarbamoyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetyl]amino]benzoate
CID 53128391
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128510
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
N'-(3-acetylphenyl)-N-benzylpropanediamide
CID 108945305
2-[2-(3,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 22425606
N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 110885067
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128499
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 53128399) is 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(=O)c1cccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c1.
What is the InChIKey of 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is CVZAKNXMNVIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-16(30)18-8-5-9-20(12-18)26-22(31)15-29-24(33)28-14-19(10-11-21(28)27-29)23(32)25-13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,25,32)(H,26,31).
What are the key properties of 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetylanilino)-2-oxoethyl]-N-benzyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 53128399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).