N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide

C15H14N4O3 — CID 108525895

IUPACN'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccccn1)c1cccc(N)c1
InChIInChI=1S/C15H14N4O3/c1-10(20)19(12-6-4-5-11(16)9-12)15(22)14(21)18-13-7-2-3-8-17-13/h2-9H,16H2,1H3,(H,17,18,21)
InChIKeyDKBOCHHHEBYMRM-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.18
Rot. Bonds2

About N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide

N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide (PubChem CID 108525895) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
PubChem CID108525895
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccccn1)c1cccc(N)c1
InChIInChI=1S/C15H14N4O3/c1-10(20)19(12-6-4-5-11(16)9-12)15(22)14(21)18-13-7-2-3-8-17-13/h2-9H,16H2,1H3,(H,17,18,21)
InChIKeyDKBOCHHHEBYMRM-UHFFFAOYSA-N
XLogP1.18
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108525696
N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598
N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
CID 108508050
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516382
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N-(4-amino-2-chlorophenyl)-N'-pyridin-2-yloxamide
CID 108516076
N',N'-dipropyl-N-pyridin-2-yloxamide
CID 108525916
N-(2-amino-4-methylphenyl)-N'-pyridin-2-yloxamide
CID 108525984
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
CID 108868989

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide (CID 108525895) is N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide is CC(=O)N(C(=O)C(=O)Nc1ccccn1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide?
The InChIKey is DKBOCHHHEBYMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10(20)19(12-6-4-5-11(16)9-12)15(22)14(21)18-13-7-2-3-8-17-13/h2-9H,16H2,1H3,(H,17,18,21).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide?
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide has a molecular weight of 298.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide is sourced from PubChem (CID 108525895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).