3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea

C20H24F2N4O2 — CID 122176478

IUPAC3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea
SMILESO=C(Nc1c(F)cccc1F)N(CCCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C20H24F2N4O2/c21-17-5-1-6-18(22)19(17)24-20(27)26(15-16-4-2-7-23-14-16)9-3-8-25-10-12-28-13-11-25/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)
InChIKeyGPMRYKSGGKCECK-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.12
Rot. Bonds7

About 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea

3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 122176478) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID122176478
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea
SMILESO=C(Nc1c(F)cccc1F)N(CCCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C20H24F2N4O2/c21-17-5-1-6-18(22)19(17)24-20(27)26(15-16-4-2-7-23-14-16)9-3-8-25-10-12-28-13-11-25/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)
InChIKeyGPMRYKSGGKCECK-UHFFFAOYSA-N
XLogP3.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea (CID 122176478) is 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea is O=C(Nc1c(F)cccc1F)N(CCCN1CCOCC1)Cc1cccnc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is GPMRYKSGGKCECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c21-17-5-1-6-18(22)19(17)24-20(27)26(15-16-4-2-7-23-14-16)9-3-8-25-10-12-28-13-11-25/h1-2,4-7,14H,3,8-13,15H2,(H,24,27).
What are the key properties of 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea?
3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 390.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 122176478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).