N-(4-acetylphenyl)-N'-pyridin-3-yloxamide

C15H13N3O3 — CID 108514790

IUPACN-(4-acetylphenyl)-N'-pyridin-3-yloxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H13N3O3/c1-10(19)11-4-6-12(7-5-11)17-14(20)15(21)18-13-3-2-8-16-9-13/h2-9H,1H3,(H,17,20)(H,18,21)
InChIKeyAWIGYNRDXZRXRG-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.86
Rot. Bonds3

About N-(4-acetylphenyl)-N'-pyridin-3-yloxamide

N-(4-acetylphenyl)-N'-pyridin-3-yloxamide (PubChem CID 108514790) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-pyridin-3-yloxamide
PubChem CID108514790
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(4-acetylphenyl)-N'-pyridin-3-yloxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H13N3O3/c1-10(19)11-4-6-12(7-5-11)17-14(20)15(21)18-13-3-2-8-16-9-13/h2-9H,1H3,(H,17,20)(H,18,21)
InChIKeyAWIGYNRDXZRXRG-UHFFFAOYSA-N
XLogP1.86
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
N-(4-acetylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487947
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
[4-[[2-oxo-2-(pyridin-3-ylamino)acetyl]amino]phenyl] thiocyanate
CID 108526001
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-pyridin-3-yloxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-pyridin-3-yloxamide (CID 108514790) is N-(4-acetylphenyl)-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-pyridin-3-yloxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-pyridin-3-yloxamide is CC(=O)c1ccc(NC(=O)C(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-pyridin-3-yloxamide?
The InChIKey is AWIGYNRDXZRXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10(19)11-4-6-12(7-5-11)17-14(20)15(21)18-13-3-2-8-16-9-13/h2-9H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetylphenyl)-N'-pyridin-3-yloxamide?
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide has a molecular weight of 283.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-pyridin-3-yloxamide is sourced from PubChem (CID 108514790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).