N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide

C16H17N3O2 — CID 108518202

IUPACN'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide
SMILESCCN(C(=O)C(=O)NCc1ccncc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-2-19(14-6-4-3-5-7-14)16(21)15(20)18-12-13-8-10-17-11-9-13/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyBHSCOEVFKVQMES-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.75
Rot. Bonds4

About N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide

N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 108518202) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide
PubChem CID108518202
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide
SMILESCCN(C(=O)C(=O)NCc1ccncc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-2-19(14-6-4-3-5-7-14)16(21)15(20)18-12-13-8-10-17-11-9-13/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyBHSCOEVFKVQMES-UHFFFAOYSA-N
XLogP1.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.75
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'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide
CID 108518553
N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
CID 108985887
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide
CID 108518697
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
CID 43135912
2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 2915171

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide (CID 108518202) is N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide is CCN(C(=O)C(=O)NCc1ccncc1)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is BHSCOEVFKVQMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-19(14-6-4-3-5-7-14)16(21)15(20)18-12-13-8-10-17-11-9-13/h3-11H,2,12H2,1H3,(H,18,20).
What are the key properties of N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide?
N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 108518202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).