5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen

C32H45BrClN5O — CID 160897384

About 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen

5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 160897384) has the molecular formula C32H45BrClN5O and a molecular weight of 631.10 g/mol. Its IUPAC name is 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 160897384
• Molecular Formula: C32H45BrClN5O
• Molecular Weight: 631.10 g/mol
• Exact Mass: 629.25
• IUPAC Name: 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC1(C)C2CCC(CNC(=O)c3cnc(N4CCN(C5CCN(Cc6ccc(Cl)cc6)CC5)CC4)c(Br)c3)C1C2.[H][H]
• InChI: InChI=1S/C32H43BrClN5O.H2/c1-32(2)25-6-5-23(28(32)18-25)19-36-31(40)24-17-29(33)30(35-20-24)39-15-13-38(14-16-39)27-9-11-37(12-10-27)21-22-3-7-26(34)8-4-22;/h3-4,7-8,17,20,23,25,27-28H,5-6,9-16,18-19,21H2,1-2H3,(H,36,40);1H
• InChIKey: SPAZIWJUJYRRSV-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 51.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.10
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen (CID 160897384) is 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen is CC1(C)C2CCC(CNC(=O)c3cnc(N4CCN(C5CCN(Cc6ccc(Cl)cc6)CC5)CC4)c(Br)c3)C1C2.[H][H].

What is the InChIKey of 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is SPAZIWJUJYRRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43BrClN5O.H2/c1-32(2)25-6-5-23(28(32)18-25)19-36-31(40)24-17-29(33)30(35-20-24)39-15-13-38(14-16-39)27-9-11-37(12-10-27)21-22-3-7-26(34)8-4-22;/h3-4,7-8,17,20,23,25,27-28H,5-6,9-16,18-19,21H2,1-2H3,(H,36,40);1H.

What are the key properties of 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen?

5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 631.10 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 160897384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).