5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide

C15H22BrN3O — CID 62953534

IUPAC5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C15H22BrN3O/c1-15(2,3)19-8-6-12(7-9-19)18-14(20)13-5-4-11(16)10-17-13/h4-5,10,12H,6-9H2,1-3H3,(H,18,20)
InChIKeyOEJQKGDRNDQUFZ-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.84
Rot. Bonds2

About 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide

5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 62953534) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID62953534
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C15H22BrN3O/c1-15(2,3)19-8-6-12(7-9-19)18-14(20)13-5-4-11(16)10-17-13/h4-5,10,12H,6-9H2,1-3H3,(H,18,20)
InChIKeyOEJQKGDRNDQUFZ-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide (CID 62953534) is 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide is CC(C)(C)N1CCC(NC(=O)c2ccc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is OEJQKGDRNDQUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-15(2,3)19-8-6-12(7-9-19)18-14(20)13-5-4-11(16)10-17-13/h4-5,10,12H,6-9H2,1-3H3,(H,18,20).
What are the key properties of 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide?
5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62953534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).