5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

C16H24BrN3O2 — CID 171547582

IUPAC5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCOc1nc(C)c(Br)c(C)c1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H24BrN3O2/c1-10-13(15(22-5)18-11(2)14(10)17)16(21)20(4)12-6-8-19(3)9-7-12/h12H,6-9H2,1-5H3
InChIKeyNKIQGIYVUULYIR-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.64
Rot. Bonds3

About 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 171547582) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID171547582
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCOc1nc(C)c(Br)c(C)c1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H24BrN3O2/c1-10-13(15(22-5)18-11(2)14(10)17)16(21)20(4)12-6-8-19(3)9-7-12/h12H,6-9H2,1-5H3
InChIKeyNKIQGIYVUULYIR-UHFFFAOYSA-N
XLogP2.64
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (CID 171547582) is 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is COc1nc(C)c(Br)c(C)c1C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is NKIQGIYVUULYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-10-13(15(22-5)18-11(2)14(10)17)16(21)20(4)12-6-8-19(3)9-7-12/h12H,6-9H2,1-5H3.
What are the key properties of 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 370.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171547582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).