N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide

C15H15Br2N3O — CID 107603232

IUPACN-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2c(Br)cccc2Br)cc(NC)n1
InChIInChI=1S/C15H15Br2N3O/c1-3-10-7-9(8-13(18-2)19-10)15(21)20-14-11(16)5-4-6-12(14)17/h4-8H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJXZYSQYCEWPTEQ-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.46
Rot. Bonds4

About N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide

N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 107603232) has the molecular formula C15H15Br2N3O and a molecular weight of 413.11 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID107603232
Molecular FormulaC15H15Br2N3O
Molecular Weight413.11 g/mol
Exact Mass410.96
IUPAC NameN-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2c(Br)cccc2Br)cc(NC)n1
InChIInChI=1S/C15H15Br2N3O/c1-3-10-7-9(8-13(18-2)19-10)15(21)20-14-11(16)5-4-6-12(14)17/h4-8H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJXZYSQYCEWPTEQ-UHFFFAOYSA-N
XLogP4.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide (CID 107603232) is N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide is CCc1cc(C(=O)Nc2c(Br)cccc2Br)cc(NC)n1.
What is the InChIKey of N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is JXZYSQYCEWPTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3O/c1-3-10-7-9(8-13(18-2)19-10)15(21)20-14-11(16)5-4-6-12(14)17/h4-8H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide?
N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 413.11 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107603232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).