1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea

C14H12F3N3O2 — CID 2359717

IUPAC1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H12F3N3O2/c1-22-12-6-5-11(8-18-12)20-13(21)19-10-4-2-3-9(7-10)14(15,16)17/h2-8H,1H3,(H2,19,20,21)
InChIKeyZWZZAIYNBYNOON-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.75
Rot. Bonds3

About 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2359717) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2359717
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H12F3N3O2/c1-22-12-6-5-11(8-18-12)20-13(21)19-10-4-2-3-9(7-10)14(15,16)17/h2-8H,1H3,(H2,19,20,21)
InChIKeyZWZZAIYNBYNOON-UHFFFAOYSA-N
XLogP3.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
N-Arylpiperazine-1-carboxamide Derivative, 26
CID 11690589
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
N-(6-methoxypyridin-3-yl)acetamide
CID 2755701
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxypyridin-3-yl)-2,5-dimethylpiperazine-1-carboxamide
CID 11719005
N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea
CID 849673
3-(2-methoxyphenyl)-N-3-pyridinylacrylamide
CID 895797
N-(3-methoxyphenyl)-N'-3-pyridinylurea
CID 1297960
1-(6-Methoxypyridin-3-yl)-3-(4-nitrophenyl)urea
CID 4547792
1-[2-(2-Propan-2-ylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11510273

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 2359717) is 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea is COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is ZWZZAIYNBYNOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-22-12-6-5-11(8-18-12)20-13(21)19-10-4-2-3-9(7-10)14(15,16)17/h2-8H,1H3,(H2,19,20,21).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 311.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2359717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).