N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide

C12H17N3O2 — CID 44997660

IUPACN'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H17N3O2/c1-8-6-5-7-9(13-8)14-10(16)11(17)15-12(2,3)4/h5-7H,1-4H3,(H,15,17)(H,13,14,16)
InChIKeyBNFKDZQNSXVGNC-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.24
Rot. Bonds1

About N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide

N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide (PubChem CID 44997660) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
PubChem CID44997660
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H17N3O2/c1-8-6-5-7-9(13-8)14-10(16)11(17)15-12(2,3)4/h5-7H,1-4H3,(H,15,17)(H,13,14,16)
InChIKeyBNFKDZQNSXVGNC-UHFFFAOYSA-N
XLogP1.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.24
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

N-(2-methylphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997672
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659
N-(6-methyl-2-pyridinyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519296
N-(6-methyl-2-pyridinyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519128
N-(4-carbamoylphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 108525732
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N'-(2-hydroxy-5-methylphenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108522685
N-(2-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997668
1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915110
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
3-amino-2,2-dimethyl-N-(6-methyl-2-pyridinyl)propanamide;dihydrochloride
CID 119827439

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide (CID 44997660) is N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide is Cc1cccc(NC(=O)C(=O)NC(C)(C)C)n1.
What is the InChIKey of N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide?
The InChIKey is BNFKDZQNSXVGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-5-7-9(13-8)14-10(16)11(17)15-12(2,3)4/h5-7H,1-4H3,(H,15,17)(H,13,14,16).
What are the key properties of N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide?
N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide has a molecular weight of 235.29 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 44997660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).