3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one

C29H29F3N4O2 — CID 143463170

About 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one

3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 143463170) has the molecular formula C29H29F3N4O2 and a molecular weight of 522.57 g/mol. Its IUPAC name is 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

• Compound Name: 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one
• PubChem CID: 143463170
• Molecular Formula: C29H29F3N4O2
• Molecular Weight: 522.57 g/mol
• Exact Mass: 522.22
• IUPAC Name: 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one
• SMILES: CCNc1cc(-c2cc(CC)cc(-c3cnco3)c2)cn(-c2cc(N3CCCC3)ccc2C(F)(F)F)c1=O
• InChI: InChI=1S/C29H29F3N4O2/c1-3-19-11-20(13-21(12-19)27-16-33-18-38-27)22-14-25(34-4-2)28(37)36(17-22)26-15-23(35-9-5-6-10-35)7-8-24(26)29(30,31)32/h7-8,11-18,34H,3-6,9-10H2,1-2H3
• InChIKey: QFKVDNUCAPBKJN-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.57
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one?

The IUPAC name of 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one (CID 143463170) is 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one.

What is the SMILES notation for 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one?

The canonical SMILES for 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one is CCNc1cc(-c2cc(CC)cc(-c3cnco3)c2)cn(-c2cc(N3CCCC3)ccc2C(F)(F)F)c1=O.

What is the InChIKey of 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one?

The InChIKey is QFKVDNUCAPBKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O2/c1-3-19-11-20(13-21(12-19)27-16-33-18-38-27)22-14-25(34-4-2)28(37)36(17-22)26-15-23(35-9-5-6-10-35)7-8-24(26)29(30,31)32/h7-8,11-18,34H,3-6,9-10H2,1-2H3.

What are the key properties of 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one?

3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 522.57 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 143463170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).