5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine

C15H23BrN4 — CID 104506751

IUPAC5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(N2CCN(C3CCCC3)CC2)c1Br
InChIInChI=1S/C15H23BrN4/c1-11-13(17)10-18-15(14(11)16)20-8-6-19(7-9-20)12-4-2-3-5-12/h10,12H,2-9,17H2,1H3
InChIKeyVVYPRODXWREIRF-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.80
Rot. Bonds2

About 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine

5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine (PubChem CID 104506751) has the molecular formula C15H23BrN4 and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine
PubChem CID104506751
Molecular FormulaC15H23BrN4
Molecular Weight339.28 g/mol
Exact Mass338.11
IUPAC Name5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(N2CCN(C3CCCC3)CC2)c1Br
InChIInChI=1S/C15H23BrN4/c1-11-13(17)10-18-15(14(11)16)20-8-6-19(7-9-20)12-4-2-3-5-12/h10,12H,2-9,17H2,1H3
InChIKeyVVYPRODXWREIRF-UHFFFAOYSA-N
XLogP2.80
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine
CID 104507019
5-bromo-4-methyl-6-morpholin-4-ylpyridin-3-amine
CID 104506171
6-(4-cyclopentylpiperazin-1-yl)-5-methylpyridin-3-amine
CID 62475731
5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine
CID 104506611
5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine
CID 71144951
5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
CID 113420482
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-bromo-4-methylpyridin-3-amine
CID 113420505
5-bromo-6-[3-(diethylamino)pyrrolidin-1-yl]-4-methylpyridin-3-amine
CID 104506822
5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81448228
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
6-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80799407
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-bromo-4-methylpyridin-3-amine
CID 104506658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine (CID 104506751) is 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine is Cc1c(N)cnc(N2CCN(C3CCCC3)CC2)c1Br.
What is the InChIKey of 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine?
The InChIKey is VVYPRODXWREIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4/c1-11-13(17)10-18-15(14(11)16)20-8-6-19(7-9-20)12-4-2-3-5-12/h10,12H,2-9,17H2,1H3.
What are the key properties of 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine?
5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine has a molecular weight of 339.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 104506751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).