1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

C24H17ClF3N5O2 — CID 139489278

About 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (PubChem CID 139489278) has the molecular formula C24H17ClF3N5O2 and a molecular weight of 499.88 g/mol. Its IUPAC name is 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
• PubChem CID: 139489278
• Molecular Formula: C24H17ClF3N5O2
• Molecular Weight: 499.88 g/mol
• Exact Mass: 499.10
• IUPAC Name: 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
• SMILES: Nc1ncc(-c2cccnc2)cc1Oc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
• InChI: InChI=1S/C24H17ClF3N5O2/c25-20-7-6-17(11-19(20)24(26,27)28)33-23(34)32-16-4-1-5-18(10-16)35-21-9-15(13-31-22(21)29)14-3-2-8-30-12-14/h1-13H,(H2,29,31)(H2,32,33,34)
• InChIKey: OWIWHQWYVMDBFG-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 102.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.88
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (CID 139489278) is 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea is Nc1ncc(-c2cccnc2)cc1Oc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.

What is the InChIKey of 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?

The InChIKey is OWIWHQWYVMDBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O2/c25-20-7-6-17(11-19(20)24(26,27)28)33-23(34)32-16-4-1-5-18(10-16)35-21-9-15(13-31-22(21)29)14-3-2-8-30-12-14/h1-13H,(H2,29,31)(H2,32,33,34).

What are the key properties of 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?

1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 499.88 g/mol, XLogP of 6.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 139489278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).