1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

C19H22F3N3O2 — CID 55739146

IUPAC1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(C)Oc1ncccc1CNC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O2/c1-13(2)27-17-15(4-3-10-23-17)12-25-18(26)24-11-9-14-5-7-16(8-6-14)19(20,21)22/h3-8,10,13H,9,11-12H2,1-2H3,(H2,24,25,26)
InChIKeyAXJRRZBWTGOLLL-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.93
Rot. Bonds7

About 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 55739146) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID55739146
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(C)Oc1ncccc1CNC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O2/c1-13(2)27-17-15(4-3-10-23-17)12-25-18(26)24-11-9-14-5-7-16(8-6-14)19(20,21)22/h3-8,10,13H,9,11-12H2,1-2H3,(H2,24,25,26)
InChIKeyAXJRRZBWTGOLLL-UHFFFAOYSA-N
XLogP3.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea with MolForge

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Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
3-amino-2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 115426650
1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38234794
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55912713
2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55960898
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55746318

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 55739146) is 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is CC(C)Oc1ncccc1CNC(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is AXJRRZBWTGOLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-13(2)27-17-15(4-3-10-23-17)12-25-18(26)24-11-9-14-5-7-16(8-6-14)19(20,21)22/h3-8,10,13H,9,11-12H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 381.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 55739146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).