1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

C14H16F3N3O2 — CID 47492548

IUPAC1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-5-10(12(21)18-6-9)19-13(22)20-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,18,21)(H2,19,20,22)
InChIKeyIDXHIUYTTNLKTC-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.70
Rot. Bonds4

About 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 47492548) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID47492548
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-5-10(12(21)18-6-9)19-13(22)20-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,18,21)(H2,19,20,22)
InChIKeyIDXHIUYTTNLKTC-UHFFFAOYSA-N
XLogP2.70
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 47492548) is 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is IDXHIUYTTNLKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)9-5-10(12(21)18-6-9)19-13(22)20-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,18,21)(H2,19,20,22).
What are the key properties of 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 315.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 47492548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).