3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine

C23H26Br2N6 — CID 67026841

IUPAC3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
SMILESBrc1cnc(NC2CCCCC2)c(Br)c1-c1cc2cnccc2c(N2CCNCC2)n1
InChIInChI=1S/C23H26Br2N6/c24-18-14-28-22(29-16-4-2-1-3-5-16)21(25)20(18)19-12-15-13-27-7-6-17(15)23(30-19)31-10-8-26-9-11-31/h6-7,12-14,16,26H,1-5,8-11H2,(H,28,29)
InChIKeyZIYFBQGAMBQJPY-UHFFFAOYSA-N
MW546.31 g/mol
LogP5.37
Rot. Bonds4

About 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine

3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine (PubChem CID 67026841) has the molecular formula C23H26Br2N6 and a molecular weight of 546.31 g/mol. Its IUPAC name is 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
PubChem CID67026841
Molecular FormulaC23H26Br2N6
Molecular Weight546.31 g/mol
Exact Mass544.06
IUPAC Name3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
SMILESBrc1cnc(NC2CCCCC2)c(Br)c1-c1cc2cnccc2c(N2CCNCC2)n1
InChIInChI=1S/C23H26Br2N6/c24-18-14-28-22(29-16-4-2-1-3-5-16)21(25)20(18)19-12-15-13-27-7-6-17(15)23(30-19)31-10-8-26-9-11-31/h6-7,12-14,16,26H,1-5,8-11H2,(H,28,29)
InChIKeyZIYFBQGAMBQJPY-UHFFFAOYSA-N
XLogP5.37
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.31
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine (CID 67026841) is 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine is Brc1cnc(NC2CCCCC2)c(Br)c1-c1cc2cnccc2c(N2CCNCC2)n1.
What is the InChIKey of 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
The InChIKey is ZIYFBQGAMBQJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Br2N6/c24-18-14-28-22(29-16-4-2-1-3-5-16)21(25)20(18)19-12-15-13-27-7-6-17(15)23(30-19)31-10-8-26-9-11-31/h6-7,12-14,16,26H,1-5,8-11H2,(H,28,29).
What are the key properties of 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine has a molecular weight of 546.31 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 67026841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).