2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine

C15H18BrN5 — CID 79713141

IUPAC2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(Br)cnc1N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H18BrN5/c1-11-9-12(16)10-19-14(11)20-5-7-21(8-6-20)15-13(17)3-2-4-18-15/h2-4,9-10H,5-8,17H2,1H3
InChIKeyCHLKYXIKZJKXPN-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.46
Rot. Bonds2

About 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine

2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 79713141) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
PubChem CID79713141
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(Br)cnc1N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H18BrN5/c1-11-9-12(16)10-19-14(11)20-5-7-21(8-6-20)15-13(17)3-2-4-18-15/h2-4,9-10H,5-8,17H2,1H3
InChIKeyCHLKYXIKZJKXPN-UHFFFAOYSA-N
XLogP2.46
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine (CID 79713141) is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine is Cc1cc(Br)cnc1N1CCN(c2ncccc2N)CC1.
What is the InChIKey of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is CHLKYXIKZJKXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-11-9-12(16)10-19-14(11)20-5-7-21(8-6-20)15-13(17)3-2-4-18-15/h2-4,9-10H,5-8,17H2,1H3.
What are the key properties of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 348.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 79713141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).