4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide

C15H22BrN3O2 — CID 12047832

IUPAC4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(Br)cc(C(=O)N(CC)CC)n1
InChIInChI=1S/C15H22BrN3O2/c1-5-18(6-2)14(20)12-9-11(16)10-13(17-12)15(21)19(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyDLUXKPYMVZAQFQ-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.81
Rot. Bonds6

About 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide

4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide (PubChem CID 12047832) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide
PubChem CID12047832
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(Br)cc(C(=O)N(CC)CC)n1
InChIInChI=1S/C15H22BrN3O2/c1-5-18(6-2)14(20)12-9-11(16)10-13(17-12)15(21)19(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyDLUXKPYMVZAQFQ-UHFFFAOYSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide?
The IUPAC name of 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide (CID 12047832) is 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide?
The canonical SMILES for 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide is CCN(CC)C(=O)c1cc(Br)cc(C(=O)N(CC)CC)n1.
What is the InChIKey of 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide?
The InChIKey is DLUXKPYMVZAQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-5-18(6-2)14(20)12-9-11(16)10-13(17-12)15(21)19(7-3)8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide?
4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide has a molecular weight of 356.26 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N,2-N,6-N,6-N-tetraethylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 12047832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).