4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide

C26H26F2N6O2 — CID 146450396

About 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide

4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 146450396) has the molecular formula C26H26F2N6O2 and a molecular weight of 492.53 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide
• PubChem CID: 146450396
• Molecular Formula: C26H26F2N6O2
• Molecular Weight: 492.53 g/mol
• Exact Mass: 492.21
• IUPAC Name: 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide
• SMILES: COc1cc(F)cc2[nH]c(-c3c(C(N)=O)ncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)nc12
• InChI: InChI=1S/C26H26F2N6O2/c1-13-7-14(9-15(27)8-13)18-12-31-23(25(30)35)21(24(18)34-5-3-17(29)4-6-34)26-32-19-10-16(28)11-20(36-2)22(19)33-26/h7-12,17H,3-6,29H2,1-2H3,(H2,30,35)(H,32,33)
• InChIKey: NQPBTXCQNMNVLD-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 123.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.53
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide?

The IUPAC name of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide (CID 146450396) is 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide.

What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide?

The canonical SMILES for 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide is COc1cc(F)cc2[nH]c(-c3c(C(N)=O)ncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)nc12.

What is the InChIKey of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide?

The InChIKey is NQPBTXCQNMNVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O2/c1-13-7-14(9-15(27)8-13)18-12-31-23(25(30)35)21(24(18)34-5-3-17(29)4-6-34)26-32-19-10-16(28)11-20(36-2)22(19)33-26/h7-12,17H,3-6,29H2,1-2H3,(H2,30,35)(H,32,33).

What are the key properties of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide?

4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 146450396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).