5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide

C22H20F3N5O3 — CID 123997595

About 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide

5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 123997595) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 123997595
• Molecular Formula: C22H20F3N5O3
• Molecular Weight: 459.43 g/mol
• Exact Mass: 459.15
• IUPAC Name: 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: Nc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)F)cc3)cnc2N2CCC(O)C2)cc1F
• InChI: InChI=1S/C22H20F3N5O3/c23-18-8-12(9-27-19(18)26)17-7-13(10-28-20(17)30-6-5-15(31)11-30)21(32)29-14-1-3-16(4-2-14)33-22(24)25/h1-4,7-10,15,22,31H,5-6,11H2,(H2,26,27)(H,29,32)
• InChIKey: WJZIIVYDXQFDNZ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 113.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.43
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide (CID 123997595) is 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide is Nc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)F)cc3)cnc2N2CCC(O)C2)cc1F.

What is the InChIKey of 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is WJZIIVYDXQFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3/c23-18-8-12(9-27-19(18)26)17-7-13(10-28-20(17)30-6-5-15(31)11-30)21(32)29-14-1-3-16(4-2-14)33-22(24)25/h1-4,7-10,15,22,31H,5-6,11H2,(H2,26,27)(H,29,32).

What are the key properties of 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide?

5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 459.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 123997595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).