1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea

C15H14F3N3O3 — CID 91649277

IUPAC1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea
SMILESCN(OCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H14F3N3O3/c1-21(24-9-10-5-3-2-4-6-10)14(23)20-12-7-11(15(16,17)18)8-19-13(12)22/h2-8H,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyMAADZFVXBGBNNZ-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.99
Rot. Bonds4

About 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea

1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea (PubChem CID 91649277) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea
PubChem CID91649277
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea
SMILESCN(OCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H14F3N3O3/c1-21(24-9-10-5-3-2-4-6-10)14(23)20-12-7-11(15(16,17)18)8-19-13(12)22/h2-8H,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyMAADZFVXBGBNNZ-UHFFFAOYSA-N
XLogP2.99
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea?
The IUPAC name of 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea (CID 91649277) is 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea.
What is the SMILES notation for 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea?
The canonical SMILES for 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea is CN(OCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea?
The InChIKey is MAADZFVXBGBNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-21(24-9-10-5-3-2-4-6-10)14(23)20-12-7-11(15(16,17)18)8-19-13(12)22/h2-8H,9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea?
1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea has a molecular weight of 341.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-phenylmethoxyurea is sourced from PubChem (CID 91649277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).