N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide

C13H19N3O2 — CID 108526028

IUPACN'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
SMILESCCN(C(=O)C(=O)Nc1cccnc1)C(C)(C)C
InChIInChI=1S/C13H19N3O2/c1-5-16(13(2,3)4)12(18)11(17)15-10-7-6-8-14-9-10/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyHGAKBZDGIQLQRQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.67
Rot. Bonds2

About N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide

N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide (PubChem CID 108526028) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
PubChem CID108526028
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
SMILESCCN(C(=O)C(=O)Nc1cccnc1)C(C)(C)C
InChIInChI=1S/C13H19N3O2/c1-5-16(13(2,3)4)12(18)11(17)15-10-7-6-8-14-9-10/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyHGAKBZDGIQLQRQ-UHFFFAOYSA-N
XLogP1.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(pyridin-3-ylcarbamoyl)amino]acetic acid
CID 79257648
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
CID 10944780
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
N'-tert-butyl-N-(2,6-dimethylphenyl)-N'-ethyloxamide
CID 108531366
N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
CID 47333747
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
1,1-diethyl-3-pyridin-3-ylthiourea
CID 60640914
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
CID 63187094

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide?
The IUPAC name of N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide (CID 108526028) is N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide?
The canonical SMILES for N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide is CCN(C(=O)C(=O)Nc1cccnc1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide?
The InChIKey is HGAKBZDGIQLQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-5-16(13(2,3)4)12(18)11(17)15-10-7-6-8-14-9-10/h6-9H,5H2,1-4H3,(H,15,17).
What are the key properties of N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide?
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide has a molecular weight of 249.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide is sourced from PubChem (CID 108526028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).