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

C21H23FN8O2 — CID 77420717

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

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 77420717) has the molecular formula C21H23FN8O2 and a molecular weight of 438.47 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
• PubChem CID: 77420717
• Molecular Formula: C21H23FN8O2
• Molecular Weight: 438.47 g/mol
• Exact Mass: 438.19
• IUPAC Name: 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
• SMILES: COc1cncc(-c2nc(C(=O)Nc3cnccc3N3CCCC(N)C3)c(N)cc2F)n1
• InChI: InChI=1S/C21H23FN8O2/c1-32-18-10-26-9-16(27-18)19-13(22)7-14(24)20(29-19)21(31)28-15-8-25-5-4-17(15)30-6-2-3-12(23)11-30/h4-5,7-10,12H,2-3,6,11,23-24H2,1H3,(H,28,31)
• InChIKey: WKLHBTQDOZNUSC-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 145.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.47
LogP ≤ 5	1.84
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-methoxypyrazin-2-yl)pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide (CID 77420717) is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-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-methoxypyrazin-2-yl)pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide is COc1cncc(-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-methoxypyrazin-2-yl)pyridine-2-carboxamide?

The InChIKey is WKLHBTQDOZNUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8O2/c1-32-18-10-26-9-16(27-18)19-13(22)7-14(24)20(29-19)21(31)28-15-8-25-5-4-17(15)30-6-2-3-12(23)11-30/h4-5,7-10,12H,2-3,6,11,23-24H2,1H3,(H,28,31).

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

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 1.84, 5 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-methoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 77420717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).