N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide

C12H17N3O2 — CID 108518344

IUPACN',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
SMILESCCN(CC)C(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C12H17N3O2/c1-3-15(4-2)12(17)11(16)14-9-10-7-5-6-8-13-10/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyBMZNCKAZLYZWOL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.57
Rot. Bonds4

About N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide

N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 108518344) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
PubChem CID108518344
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
SMILESCCN(CC)C(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C12H17N3O2/c1-3-15(4-2)12(17)11(16)14-9-10-7-5-6-8-13-10/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyBMZNCKAZLYZWOL-UHFFFAOYSA-N
XLogP0.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.57
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'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N,N-diethylethanamine;pyridin-2-ylmethylcarbamothioic S-acid
CID 173452330
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide (CID 108518344) is N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide is CCN(CC)C(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is BMZNCKAZLYZWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-15(4-2)12(17)11(16)14-9-10-7-5-6-8-13-10/h5-8H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide?
N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 235.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 108518344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).