N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide

C16H17N3O2 — CID 108518697

IUPACN'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1ncccc1C)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-3-19(13-9-5-4-6-10-13)16(21)15(20)18-14-12(2)8-7-11-17-14/h4-11H,3H2,1-2H3,(H,17,18,20)
InChIKeyKULSTHUWJQNSOV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.38
Rot. Bonds3

About N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide

N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide (PubChem CID 108518697) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide
PubChem CID108518697
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1ncccc1C)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-3-19(13-9-5-4-6-10-13)16(21)15(20)18-14-12(2)8-7-11-17-14/h4-11H,3H2,1-2H3,(H,17,18,20)
InChIKeyKULSTHUWJQNSOV-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.38
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-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500634
N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide
CID 108518202
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108532495
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide
CID 108528899
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide?
The IUPAC name of N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide (CID 108518697) is N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide.
What is the SMILES notation for N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide?
The canonical SMILES for N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide is CCN(C(=O)C(=O)Nc1ncccc1C)c1ccccc1.
What is the InChIKey of N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide?
The InChIKey is KULSTHUWJQNSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-19(13-9-5-4-6-10-13)16(21)15(20)18-14-12(2)8-7-11-17-14/h4-11H,3H2,1-2H3,(H,17,18,20).
What are the key properties of N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide?
N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide has a molecular weight of 283.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide is sourced from PubChem (CID 108518697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).