N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide

C12H17N3O2 — CID 3114026

IUPACN'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)15-11(17)10(16)14-8-9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyQXMZWHFUYGZYOQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds2

About N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide

N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 3114026) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide
PubChem CID3114026
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)15-11(17)10(16)14-8-9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyQXMZWHFUYGZYOQ-UHFFFAOYSA-N
XLogP0.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.61
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

Amrinone
CID 3698
Betahistine
CID 2366
N-Pyridin-4-ylacetamide
CID 21288
Kdoam-25
CID 91810435
3-Acetamidopyridine
CID 79978
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
1-Phenyl-3-(pyridin-2-ylmethyl)urea
CID 853198
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-phenyl-N'-pyridin-3-yloxamide
CID 1949535

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide (CID 3114026) is N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide is CC(C)(C)NC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is QXMZWHFUYGZYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)15-11(17)10(16)14-8-9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide?
N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 235.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 3114026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).