6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide

C23H20F3N5O3 — CID 157277749

About 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide

6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide (PubChem CID 157277749) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
• PubChem CID: 157277749
• Molecular Formula: C23H20F3N5O3
• Molecular Weight: 471.44 g/mol
• Exact Mass: 471.15
• IUPAC Name: 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
• SMILES: NC(=O)c1cc(CC[C@H]2CCNC2=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
• InChI: InChI=1S/C23H20F3N5O3/c24-23(25,26)15-4-8-19(29-12-15)34-17-6-2-13(3-7-17)21-30-16(11-18(31-21)20(27)32)5-1-14-9-10-28-22(14)33/h2-4,6-8,11-12,14H,1,5,9-10H2,(H2,27,32)(H,28,33)/t14-/m0/s1
• InChIKey: AZHMJPGUNJATNO-AWEZNQCLSA-N
• XLogP: 3.52
• TPSA: 120.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.44
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?

The IUPAC name of 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide (CID 157277749) is 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide is NC(=O)c1cc(CC[C@H]2CCNC2=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.

What is the InChIKey of 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?

The InChIKey is AZHMJPGUNJATNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c24-23(25,26)15-4-8-19(29-12-15)34-17-6-2-13(3-7-17)21-30-16(11-18(31-21)20(27)32)5-1-14-9-10-28-22(14)33/h2-4,6-8,11-12,14H,1,5,9-10H2,(H2,27,32)(H,28,33)/t14-/m0/s1.

What are the key properties of 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?

6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 157277749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).