1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea

C18H13F3N4O2 — CID 127027297

IUPAC1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccccn1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)27-15-7-6-12(13-4-3-8-22-11-13)10-14(15)24-17(26)25-16-5-1-2-9-23-16/h1-11H,(H2,23,24,25,26)
InChIKeyCILDJFIVENUVDR-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.69
Rot. Bonds4

About 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea

1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea (PubChem CID 127027297) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
PubChem CID127027297
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccccn1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)27-15-7-6-12(13-4-3-8-22-11-13)10-14(15)24-17(26)25-16-5-1-2-9-23-16/h1-11H,(H2,23,24,25,26)
InChIKeyCILDJFIVENUVDR-UHFFFAOYSA-N
XLogP4.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
US10155760, Example 12
CID 118420154
US10155760, Example 117
CID 118429768
US10155760, Example 120
CID 118429774
US10155760, Example 146
CID 118429917
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
SoRI 8897
CID 72509
5-Ethyl-6-[[2-methoxy-5-(trifluoromethyl)anilino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 462134
1-(2-Methoxyphenyl)-3-(3-methylpyridin-2-yl)urea
CID 651733
N-(2-methoxy-5-methylphenyl)-N'-2-pyrazinylurea
CID 6466621
4-(2-Methoxy-5-methylanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133128
N-(2-methoxyphenyl)-4-(2-(2-methoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10475988

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea (CID 127027297) is 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccccn1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F.
What is the InChIKey of 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea?
The InChIKey is CILDJFIVENUVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c19-18(20,21)27-15-7-6-12(13-4-3-8-22-11-13)10-14(15)24-17(26)25-16-5-1-2-9-23-16/h1-11H,(H2,23,24,25,26).
What are the key properties of 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea?
1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea has a molecular weight of 374.32 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 127027297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).