3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide

C26H30FN7O3 — CID 77419853

About 3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide

3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 77419853) has the molecular formula C26H30FN7O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is 3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
• PubChem CID: 77419853
• Molecular Formula: C26H30FN7O3
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.24
• IUPAC Name: 3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
• SMILES: CC(C)NC(=O)c1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCC(N)C(O)C3)n2)c1
• InChI: InChI=1S/C26H30FN7O3/c1-14(2)31-25(36)15-3-4-17(27)16(11-15)20-6-5-19(29)24(32-20)26(37)33-21-12-30-9-7-22(21)34-10-8-18(28)23(35)13-34/h3-7,9,11-12,14,18,23,35H,8,10,13,28-29H2,1-2H3,(H,31,36)(H,33,37)
• InChIKey: MDKGNDFRWXCMGQ-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 159.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide (CID 77419853) is 3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide is CC(C)NC(=O)c1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCC(N)C(O)C3)n2)c1.

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

The InChIKey is MDKGNDFRWXCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O3/c1-14(2)31-25(36)15-3-4-17(27)16(11-15)20-6-5-19(29)24(32-20)26(37)33-21-12-30-9-7-22(21)34-10-8-18(28)23(35)13-34/h3-7,9,11-12,14,18,23,35H,8,10,13,28-29H2,1-2H3,(H,31,36)(H,33,37).

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

3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 507.57 g/mol, XLogP of 2.15, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 77419853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).