N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide

C12H17N3O3 — CID 108525220

IUPACN'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C12H17N3O3/c1-3-15(6-7-16)12(18)11(17)14-10-5-4-9(2)8-13-10/h4-5,8,16H,3,6-7H2,1-2H3,(H,13,14,17)
InChIKeyMEGCKGGKEXEXID-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.17
Rot. Bonds4

About N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide

N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide (PubChem CID 108525220) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide
PubChem CID108525220
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C12H17N3O3/c1-3-15(6-7-16)12(18)11(17)14-10-5-4-9(2)8-13-10/h4-5,8,16H,3,6-7H2,1-2H3,(H,13,14,17)
InChIKeyMEGCKGGKEXEXID-UHFFFAOYSA-N
XLogP0.17
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide
CID 108528764
N'-ethyl-N'-(2-hydroxyethyl)-N-pyridin-2-yloxamide
CID 108525117
N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47263973
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525164
N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525152
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336227
N-ethyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62236418
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide
CID 108509860

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide (CID 108525220) is N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide is CCN(CCO)C(=O)C(=O)Nc1ccc(C)cn1.
What is the InChIKey of N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide?
The InChIKey is MEGCKGGKEXEXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-15(6-7-16)12(18)11(17)14-10-5-4-9(2)8-13-10/h4-5,8,16H,3,6-7H2,1-2H3,(H,13,14,17).
What are the key properties of N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide?
N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide has a molecular weight of 251.29 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108525220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).