4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

C23H24F2N6O3 — CID 139350370

About 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139350370) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 139350370
• Molecular Formula: C23H24F2N6O3
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.19
• IUPAC Name: 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
• SMILES: C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC(O)C(F)(F)C3)ccn2)c1
• InChI: InChI=1S/C23H24F2N6O3/c1-14(8-20-29-27-13-30(20)2)15-4-3-5-17(9-15)28-21(33)18-10-16(6-7-26-18)22(34)31-11-19(32)23(24,25)12-31/h3-7,9-10,13-14,19,32H,8,11-12H2,1-2H3,(H,28,33)/t14-,19?/m1/s1
• InChIKey: LVKCTHPVUBLCOU-MJTSIZKDSA-N
• XLogP: 2.26
• TPSA: 113.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (CID 139350370) is 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC(O)C(F)(F)C3)ccn2)c1.

What is the InChIKey of 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is LVKCTHPVUBLCOU-MJTSIZKDSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-14(8-20-29-27-13-30(20)2)15-4-3-5-17(9-15)28-21(33)18-10-16(6-7-26-18)22(34)31-11-19(32)23(24,25)12-31/h3-7,9-10,13-14,19,32H,8,11-12H2,1-2H3,(H,28,33)/t14-,19?/m1/s1.

What are the key properties of 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?

4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139350370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).