3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel

C18H16Br2N4Ni — CID 159295208

IUPAC3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel
SMILESCc1cccc(CN(c2ccccn2)c2nc(C)cc(Br)c2Br)n1.[Ni]
InChIInChI=1S/C18H16Br2N4.Ni/c1-12-6-5-7-14(22-12)11-24(16-8-3-4-9-21-16)18-17(20)15(19)10-13(2)23-18;/h3-10H,11H2,1-2H3;
InChIKeyLAPZFWNDSPLUBJ-UHFFFAOYSA-N
MW506.86 g/mol
LogP5.35
Rot. Bonds4

About 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel

3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel (PubChem CID 159295208) has the molecular formula C18H16Br2N4Ni and a molecular weight of 506.86 g/mol. Its IUPAC name is 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel.

Molecular Properties

Compound Name3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel
PubChem CID159295208
Molecular FormulaC18H16Br2N4Ni
Molecular Weight506.86 g/mol
Exact Mass503.91
IUPAC Name3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel
SMILESCc1cccc(CN(c2ccccn2)c2nc(C)cc(Br)c2Br)n1.[Ni]
InChIInChI=1S/C18H16Br2N4.Ni/c1-12-6-5-7-14(22-12)11-24(16-8-3-4-9-21-16)18-17(20)15(19)10-13(2)23-18;/h3-10H,11H2,1-2H3;
InChIKeyLAPZFWNDSPLUBJ-UHFFFAOYSA-N
XLogP5.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.86
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel with MolForge

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Related Compounds

6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 66627792
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 107519162
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 91581925
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 113254240
6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115417200
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel?
The IUPAC name of 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel (CID 159295208) is 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel.
What is the SMILES notation for 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel?
The canonical SMILES for 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel is Cc1cccc(CN(c2ccccn2)c2nc(C)cc(Br)c2Br)n1.[Ni].
What is the InChIKey of 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel?
The InChIKey is LAPZFWNDSPLUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N4.Ni/c1-12-6-5-7-14(22-12)11-24(16-8-3-4-9-21-16)18-17(20)15(19)10-13(2)23-18;/h3-10H,11H2,1-2H3;.
What are the key properties of 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel?
3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel has a molecular weight of 506.86 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine;nickel is sourced from PubChem (CID 159295208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).