4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide

C38H36Br2N8O — CID 68733908

IUPAC4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1.CCN(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C20H19BrN4O.C18H17BrN4/c1-13(26)25-20(2,3)19-10-14(15-8-16(21)12-22-11-15)9-18(24-19)17-6-4-5-7-23-17;1-3-23(2)18-10-13(14-8-15(19)12-20-11-14)9-17(22-18)16-6-4-5-7-21-16/h4-12H,1-3H3,(H,25,26);4-12H,3H2,1-2H3
InChIKeyKQRFGVRAELGRKQ-UHFFFAOYSA-N
MW780.57 g/mol
LogP8.76
Rot. Bonds8

About 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide

4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide (PubChem CID 68733908) has the molecular formula C38H36Br2N8O and a molecular weight of 780.57 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide
PubChem CID68733908
Molecular FormulaC38H36Br2N8O
Molecular Weight780.57 g/mol
Exact Mass778.14
IUPAC Name4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1.CCN(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C20H19BrN4O.C18H17BrN4/c1-13(26)25-20(2,3)19-10-14(15-8-16(21)12-22-11-15)9-18(24-19)17-6-4-5-7-23-17;1-3-23(2)18-10-13(14-8-15(19)12-20-11-14)9-17(22-18)16-6-4-5-7-21-16/h4-12H,1-3H3,(H,25,26);4-12H,3H2,1-2H3
InChIKeyKQRFGVRAELGRKQ-UHFFFAOYSA-N
XLogP8.76
TPSA109.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.57
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide (CID 68733908) is 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1.CCN(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide?
The InChIKey is KQRFGVRAELGRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O.C18H17BrN4/c1-13(26)25-20(2,3)19-10-14(15-8-16(21)12-22-11-15)9-18(24-19)17-6-4-5-7-23-17;1-3-23(2)18-10-13(14-8-15(19)12-20-11-14)9-17(22-18)16-6-4-5-7-21-16/h4-12H,1-3H3,(H,25,26);4-12H,3H2,1-2H3.
What are the key properties of 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide?
4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide has a molecular weight of 780.57 g/mol, XLogP of 8.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-N-ethyl-N-methyl-6-pyridin-2-ylpyridin-2-amine;N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 68733908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).