1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea

C17H17F3N4O2 — CID 118484456

IUPAC1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C2CNCCO2)nc1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-1-3-12(4-2-11)23-16(25)24-13-5-6-14(22-9-13)15-10-21-7-8-26-15/h1-6,9,15,21H,7-8,10H2,(H2,23,24,25)
InChIKeyLGNQGSVSGLHVGX-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.41
Rot. Bonds3

About 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 118484456) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID118484456
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C2CNCCO2)nc1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-1-3-12(4-2-11)23-16(25)24-13-5-6-14(22-9-13)15-10-21-7-8-26-15/h1-6,9,15,21H,7-8,10H2,(H2,23,24,25)
InChIKeyLGNQGSVSGLHVGX-UHFFFAOYSA-N
XLogP3.41
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 118484456) is 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C2CNCCO2)nc1.
What is the InChIKey of 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is LGNQGSVSGLHVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)11-1-3-12(4-2-11)23-16(25)24-13-5-6-14(22-9-13)15-10-21-7-8-26-15/h1-6,9,15,21H,7-8,10H2,(H2,23,24,25).
What are the key properties of 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 366.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-2-yl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 118484456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).