N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide

C17H19N3O2 — CID 108525928

IUPACN-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C17H19N3O2/c1-17(2,3)12-7-9-13(10-8-12)19-15(21)16(22)20-14-6-4-5-11-18-14/h4-11H,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyJKYUUMIRGKMACD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.96
Rot. Bonds2

About N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide

N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide (PubChem CID 108525928) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
PubChem CID108525928
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C17H19N3O2/c1-17(2,3)12-7-9-13(10-8-12)19-15(21)16(22)20-14-6-4-5-11-18-14/h4-11H,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyJKYUUMIRGKMACD-UHFFFAOYSA-N
XLogP2.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate
CID 108525910
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135
N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
CID 108514330
N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
CID 108529818
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
CID 108515817
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986
N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171748
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-(2-acetamidoethyl)-N'-pyridin-2-yloxamide
CID 108525945
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide (CID 108525928) is N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide is CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide?
The InChIKey is JKYUUMIRGKMACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2,3)12-7-9-13(10-8-12)19-15(21)16(22)20-14-6-4-5-11-18-14/h4-11H,1-3H3,(H,19,21)(H,18,20,22).
What are the key properties of N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide?
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide has a molecular weight of 297.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide is sourced from PubChem (CID 108525928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).