1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea

C17H18N4O3 — CID 54474930

IUPAC1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea
SMILESCCN(C(=O)N(C(=O)NCC=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N4O3/c1-2-20(15-10-6-7-11-18-15)17(24)21(16(23)19-12-13-22)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,19,23)
InChIKeyMSWWELKFKXWCOA-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.44
Rot. Bonds5

About 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea

1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea (PubChem CID 54474930) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea.

Molecular Properties

Compound Name1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea
PubChem CID54474930
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea
SMILESCCN(C(=O)N(C(=O)NCC=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N4O3/c1-2-20(15-10-6-7-11-18-15)17(24)21(16(23)19-12-13-22)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,19,23)
InChIKeyMSWWELKFKXWCOA-UHFFFAOYSA-N
XLogP2.44
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea
CID 54420303
1-ethyl-3-iodo-1-pyridin-2-ylurea
CID 146641175
N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide
CID 54071035
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175
4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide
CID 54036682
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963398
6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447375
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea?
The IUPAC name of 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea (CID 54474930) is 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea.
What is the SMILES notation for 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea?
The canonical SMILES for 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea is CCN(C(=O)N(C(=O)NCC=O)c1ccccc1)c1ccccn1.
What is the InChIKey of 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea?
The InChIKey is MSWWELKFKXWCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-2-20(15-10-6-7-11-18-15)17(24)21(16(23)19-12-13-22)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,19,23).
What are the key properties of 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea?
1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea has a molecular weight of 326.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea is sourced from PubChem (CID 54474930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).