N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C21H19N7O3 — CID 55653141

IUPACN-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1)n1cncn1
InChIInChI=1S/C21H19N7O3/c1-14(28-13-22-12-24-28)21(31)26-16-8-6-15(7-9-16)25-20(30)11-27-18-5-3-2-4-17(18)19(29)10-23-27/h2-10,12-14H,11H2,1H3,(H,25,30)(H,26,31)
InChIKeyCFRUWNOWDHLCLB-UHFFFAOYSA-N
MW417.43 g/mol
LogP1.83
Rot. Bonds6

About N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 55653141) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID55653141
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC NameN-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1)n1cncn1
InChIInChI=1S/C21H19N7O3/c1-14(28-13-22-12-24-28)21(31)26-16-8-6-15(7-9-16)25-20(30)11-27-18-5-3-2-4-17(18)19(29)10-23-27/h2-10,12-14H,11H2,1H3,(H,25,30)(H,26,31)
InChIKeyCFRUWNOWDHLCLB-UHFFFAOYSA-N
XLogP1.83
TPSA123.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
1-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]indole-3-carboxamide
CID 46402616
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 134004829
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
2-(4-oxocinnolin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38853339
N-[4-[3-(furan-2-yl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43071004

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 55653141) is N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1)n1cncn1.
What is the InChIKey of N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CFRUWNOWDHLCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-14(28-13-22-12-24-28)21(31)26-16-8-6-15(7-9-16)25-20(30)11-27-18-5-3-2-4-17(18)19(29)10-23-27/h2-10,12-14H,11H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 417.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 55653141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).