N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide

C21H16ClN5O3 — CID 78852045

IUPACN-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide
SMILESO=C(Cn1nc2ccccn2c1=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN5O3/c22-14-8-10-15(11-9-14)23-20(29)16-5-1-2-6-17(16)24-19(28)13-27-21(30)26-12-4-3-7-18(26)25-27/h1-12H,13H2,(H,23,29)(H,24,28)
InChIKeyMBBBHNIIYVSOSW-UHFFFAOYSA-N
MW421.84 g/mol
LogP3.04
Rot. Bonds5

About N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide

N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide (PubChem CID 78852045) has the molecular formula C21H16ClN5O3 and a molecular weight of 421.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide
PubChem CID78852045
Molecular FormulaC21H16ClN5O3
Molecular Weight421.84 g/mol
Exact Mass421.09
IUPAC NameN-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide
SMILESO=C(Cn1nc2ccccn2c1=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN5O3/c22-14-8-10-15(11-9-14)23-20(29)16-5-1-2-6-17(16)24-19(28)13-27-21(30)26-12-4-3-7-18(26)25-27/h1-12H,13H2,(H,23,29)(H,24,28)
InChIKeyMBBBHNIIYVSOSW-UHFFFAOYSA-N
XLogP3.04
TPSA97.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007085
N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide
CID 55875040
N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 110885067
N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24683894
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 100906527
N-(4-chlorophenyl)-2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 55442567
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134043238
2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
CID 55838761
2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
N-(4-chlorophenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 55466378
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 166204329
2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128348

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide (CID 78852045) is N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide is O=C(Cn1nc2ccccn2c1=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide?
The InChIKey is MBBBHNIIYVSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O3/c22-14-8-10-15(11-9-14)23-20(29)16-5-1-2-6-17(16)24-19(28)13-27-21(30)26-12-4-3-7-18(26)25-27/h1-12H,13H2,(H,23,29)(H,24,28).
What are the key properties of N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide has a molecular weight of 421.84 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 78852045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).