6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine

C63H74BCl2F2N9O8 — CID 158760675

About 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine

6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine (PubChem CID 158760675) has the molecular formula C63H74BCl2F2N9O8 and a molecular weight of 1205.05 g/mol. Its IUPAC name is 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine.

Molecular Properties

• Compound Name: 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine
• PubChem CID: 158760675
• Molecular Formula: C63H74BCl2F2N9O8
• Molecular Weight: 1205.05 g/mol
• Exact Mass: 1203.51
• IUPAC Name: 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine
• SMILES: NCCN1CCCCC1.O=C(NCCN1CCCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)nc1.O=C(NCCN1CCCCC1)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.OB(O)c1ccc(Oc2ccc(F)cc2)cc1
• InChI: InChI=1S/C25H26FN3O2.C13H18ClN3O.C12H10BFO3.C7H16N2.C6H4ClNO2/c26-21-7-11-23(12-8-21)31-22-9-4-19(5-10-22)24-13-6-20(18-28-24)25(30)27-14-17-29-15-2-1-3-16-29;14-12-5-4-11(10-16-12)13(18)15-6-9-17-7-2-1-3-8-17;14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16;8-4-7-9-5-2-1-3-6-9;7-5-2-1-4(3-8-5)6(9)10/h4-13,18H,1-3,14-17H2,(H,27,30);4-5,10H,1-3,6-9H2,(H,15,18);1-8,15-16H;1-8H2;1-3H,(H,9,10)
• InChIKey: IOPYXXZWKXDCLZ-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 228.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1205.05
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine?

The IUPAC name of 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine (CID 158760675) is 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine.

What is the SMILES notation for 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine?

The canonical SMILES for 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine is NCCN1CCCCC1.O=C(NCCN1CCCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)nc1.O=C(NCCN1CCCCC1)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.OB(O)c1ccc(Oc2ccc(F)cc2)cc1.

What is the InChIKey of 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine?

The InChIKey is IOPYXXZWKXDCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2.C13H18ClN3O.C12H10BFO3.C7H16N2.C6H4ClNO2/c26-21-7-11-23(12-8-21)31-22-9-4-19(5-10-22)24-13-6-20(18-28-24)25(30)27-14-17-29-15-2-1-3-16-29;14-12-5-4-11(10-16-12)13(18)15-6-9-17-7-2-1-3-8-17;14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16;8-4-7-9-5-2-1-3-6-9;7-5-2-1-4(3-8-5)6(9)10/h4-13,18H,1-3,14-17H2,(H,27,30);4-5,10H,1-3,6-9H2,(H,15,18);1-8,15-16H;1-8H2;1-3H,(H,9,10).

What are the key properties of 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine?

6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine has a molecular weight of 1205.05 g/mol, XLogP of 10.01, 17 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine is sourced from PubChem (CID 158760675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).