1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea

C18H18F3N3O3 — CID 154763161

IUPAC1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea
SMILESCc1ccn(C)c(=O)c1NC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C18H18F3N3O3/c1-11-6-9-24(2)15(25)14(11)22-16(26)23-17(7-8-17)12-4-3-5-13(10-12)27-18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,22,23,26)
InChIKeyJGFRMPUJXGHIHS-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.40
Rot. Bonds4

About 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea

1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea (PubChem CID 154763161) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea.

Molecular Properties

Compound Name1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea
PubChem CID154763161
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea
SMILESCc1ccn(C)c(=O)c1NC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C18H18F3N3O3/c1-11-6-9-24(2)15(25)14(11)22-16(26)23-17(7-8-17)12-4-3-5-13(10-12)27-18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,22,23,26)
InChIKeyJGFRMPUJXGHIHS-UHFFFAOYSA-N
XLogP3.40
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea?
The IUPAC name of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea (CID 154763161) is 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea.
What is the SMILES notation for 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea?
The canonical SMILES for 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea is Cc1ccn(C)c(=O)c1NC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea?
The InChIKey is JGFRMPUJXGHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-11-6-9-24(2)15(25)14(11)22-16(26)23-17(7-8-17)12-4-3-5-13(10-12)27-18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea?
1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea has a molecular weight of 381.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]urea is sourced from PubChem (CID 154763161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).