5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide

C17H24BrN3O — CID 44772490

IUPAC5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Br)cnc1N1CCCCC1
InChIInChI=1S/C17H24BrN3O/c18-13-11-15(17(22)20-14-7-3-1-4-8-14)16(19-12-13)21-9-5-2-6-10-21/h11-12,14H,1-10H2,(H,20,22)
InChIKeyZHEHUCQITBJKOO-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.90
Rot. Bonds3

About 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide

5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 44772490) has the molecular formula C17H24BrN3O and a molecular weight of 366.30 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID44772490
Molecular FormulaC17H24BrN3O
Molecular Weight366.30 g/mol
Exact Mass365.11
IUPAC Name5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Br)cnc1N1CCCCC1
InChIInChI=1S/C17H24BrN3O/c18-13-11-15(17(22)20-14-7-3-1-4-8-14)16(19-12-13)21-9-5-2-6-10-21/h11-12,14H,1-10H2,(H,20,22)
InChIKeyZHEHUCQITBJKOO-UHFFFAOYSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide (CID 44772490) is 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide is O=C(NC1CCCCC1)c1cc(Br)cnc1N1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is ZHEHUCQITBJKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O/c18-13-11-15(17(22)20-14-7-3-1-4-8-14)16(19-12-13)21-9-5-2-6-10-21/h11-12,14H,1-10H2,(H,20,22).
What are the key properties of 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide?
5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 366.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 44772490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).