5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

C13H18BrN3O — CID 60636354

IUPAC5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C13H18BrN3O/c1-16-5-3-12(4-6-16)17(2)13(18)10-7-11(14)9-15-8-10/h7-9,12H,3-6H2,1-2H3
InChIKeyGJSBXCLOVAYXMY-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.01
Rot. Bonds2

About 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 60636354) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID60636354
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C13H18BrN3O/c1-16-5-3-12(4-6-16)17(2)13(18)10-7-11(14)9-15-8-10/h7-9,12H,3-6H2,1-2H3
InChIKeyGJSBXCLOVAYXMY-UHFFFAOYSA-N
XLogP2.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (CID 60636354) is 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is CN1CCC(N(C)C(=O)c2cncc(Br)c2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is GJSBXCLOVAYXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-16-5-3-12(4-6-16)17(2)13(18)10-7-11(14)9-15-8-10/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 60636354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).