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

C13H19N3O2 — CID 108518361

IUPACN'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
SMILESCCCCN(C)C(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C13H19N3O2/c1-3-4-9-16(2)13(18)12(17)15-10-11-7-5-6-8-14-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyWVJAURCUMUHROM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.96
Rot. Bonds5

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

N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 108518361) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
PubChem CID108518361
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
SMILESCCCCN(C)C(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C13H19N3O2/c1-3-4-9-16(2)13(18)12(17)15-10-11-7-5-6-8-14-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyWVJAURCUMUHROM-UHFFFAOYSA-N
XLogP0.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.96
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

N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518344
N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148692
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282959
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
N,N-diethylethanamine;pyridin-2-ylmethylcarbamothioic S-acid
CID 173452330

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide (CID 108518361) is N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide is CCCCN(C)C(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is WVJAURCUMUHROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-4-9-16(2)13(18)12(17)15-10-11-7-5-6-8-14-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide?
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 249.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 108518361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).