N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide

C15H23N3O2 — CID 108526067

IUPACN,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CC)C(=O)C(=O)N(CC)CCc1ccncc1
InChIInChI=1S/C15H23N3O2/c1-4-17(5-2)14(19)15(20)18(6-3)12-9-13-7-10-16-11-8-13/h7-8,10-11H,4-6,9,12H2,1-3H3
InChIKeyHWOCOTAKIGFJOE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.34
Rot. Bonds6

About N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide

N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108526067) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108526067
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CC)C(=O)C(=O)N(CC)CCc1ccncc1
InChIInChI=1S/C15H23N3O2/c1-4-17(5-2)14(19)15(20)18(6-3)12-9-13-7-10-16-11-8-13/h7-8,10-11H,4-6,9,12H2,1-3H3
InChIKeyHWOCOTAKIGFJOE-UHFFFAOYSA-N
XLogP1.34
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
N'-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108507261
N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108512603
N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108521696
N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108522052
N'-ethyl-N'-(2-pyridin-4-ylethyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512257
N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
2-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108504024
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108526067) is N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide is CCN(CC)C(=O)C(=O)N(CC)CCc1ccncc1.
What is the InChIKey of N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is HWOCOTAKIGFJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-17(5-2)14(19)15(20)18(6-3)12-9-13-7-10-16-11-8-13/h7-8,10-11H,4-6,9,12H2,1-3H3.
What are the key properties of N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide?
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 277.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108526067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).