N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide

C17H19N3O2 — CID 108518298

IUPACN'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCCN(C(=O)C(=O)NCc1ccncc1)c1cccc(C)c1
InChIInChI=1S/C17H19N3O2/c1-3-20(15-6-4-5-13(2)11-15)17(22)16(21)19-12-14-7-9-18-10-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyMIUPDTQDQZBSGN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.06
Rot. Bonds4

About N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide

N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 108518298) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID108518298
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCCN(C(=O)C(=O)NCc1ccncc1)c1cccc(C)c1
InChIInChI=1S/C17H19N3O2/c1-3-20(15-6-4-5-13(2)11-15)17(22)16(21)19-12-14-7-9-18-10-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyMIUPDTQDQZBSGN-UHFFFAOYSA-N
XLogP2.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.06
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'-phenyl-N-(pyridin-4-ylmethyl)oxamide
CID 108518202
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520362
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137320
N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024080
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087593
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 108518298) is N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide is CCN(C(=O)C(=O)NCc1ccncc1)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is MIUPDTQDQZBSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-20(15-6-4-5-13(2)11-15)17(22)16(21)19-12-14-7-9-18-10-8-14/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 297.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 108518298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).