1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea

C16H15F2N3O2 — CID 155558714

IUPAC1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(C2CC2)cn1
InChIInChI=1S/C16H15F2N3O2/c1-19-16(22)21-14-7-13(10(8-20-14)9-5-6-9)23-15-11(17)3-2-4-12(15)18/h2-4,7-9H,5-6H2,1H3,(H2,19,20,21,22)
InChIKeyYUYQXJJCKOEZRT-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.78
Rot. Bonds4

About 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea

1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea (PubChem CID 155558714) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
PubChem CID155558714
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(C2CC2)cn1
InChIInChI=1S/C16H15F2N3O2/c1-19-16(22)21-14-7-13(10(8-20-14)9-5-6-9)23-15-11(17)3-2-4-12(15)18/h2-4,7-9H,5-6H2,1H3,(H2,19,20,21,22)
InChIKeyYUYQXJJCKOEZRT-UHFFFAOYSA-N
XLogP3.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((4-((2-aminopyridin-4-yl)oxy)-3-fluorophenyl)carbamoyl)-2-(4-fluorophenyl)acetamide
CID 17748441
1-(5-Chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea
CID 468174
1-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-(5-cyano-2-pyridinyl)urea
CID 46912339
US10155760, Example 23
CID 118419711
US10155760, Example 19
CID 118419969
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 5
CID 118420335
US10155760, Example 24
CID 118429705
US10155760, Example 33
CID 118429823
US10155760, Example 20
CID 118429871

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea (CID 155558714) is 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(C2CC2)cn1.
What is the InChIKey of 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea?
The InChIKey is YUYQXJJCKOEZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-19-16(22)21-14-7-13(10(8-20-14)9-5-6-9)23-15-11(17)3-2-4-12(15)18/h2-4,7-9H,5-6H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea?
1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea has a molecular weight of 319.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 155558714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).