3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide

C23H27FN8O2 — CID 77419913

About 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 77419913) has the molecular formula C23H27FN8O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide
• PubChem CID: 77419913
• Molecular Formula: C23H27FN8O2
• Molecular Weight: 466.52 g/mol
• Exact Mass: 466.22
• IUPAC Name: 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide
• SMILES: CCCOc1cncc(-c2nc(C(=O)Nc3cnccc3N3CCCC(N)C3)c(N)cc2F)n1
• InChI: InChI=1S/C23H27FN8O2/c1-2-8-34-20-12-28-11-18(29-20)21-15(24)9-16(26)22(31-21)23(33)30-17-10-27-6-5-19(17)32-7-3-4-14(25)13-32/h5-6,9-12,14H,2-4,7-8,13,25-26H2,1H3,(H,30,33)
• InChIKey: LVTOGIPHSLNEQP-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 145.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.52
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide (CID 77419913) is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide is CCCOc1cncc(-c2nc(C(=O)Nc3cnccc3N3CCCC(N)C3)c(N)cc2F)n1.

What is the InChIKey of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide?

The InChIKey is LVTOGIPHSLNEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN8O2/c1-2-8-34-20-12-28-11-18(29-20)21-15(24)9-16(26)22(31-21)23(33)30-17-10-27-6-5-19(17)32-7-3-4-14(25)13-32/h5-6,9-12,14H,2-4,7-8,13,25-26H2,1H3,(H,30,33).

What are the key properties of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide?

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 77419913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).