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

C23H27BrN6 — CID 67026595

IUPAC5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
SMILESBrc1cnc(NC2CCCCC2)cc1-c1cc2cnccc2c(N2CCNCC2)n1
InChIInChI=1S/C23H27BrN6/c24-20-15-27-22(28-17-4-2-1-3-5-17)13-19(20)21-12-16-14-26-7-6-18(16)23(29-21)30-10-8-25-9-11-30/h6-7,12-15,17,25H,1-5,8-11H2,(H,27,28)
InChIKeyAQHQFKOMMPJJGQ-UHFFFAOYSA-N
MW467.42 g/mol
LogP4.61
Rot. Bonds4

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

5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine (PubChem CID 67026595) has the molecular formula C23H27BrN6 and a molecular weight of 467.42 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
PubChem CID67026595
Molecular FormulaC23H27BrN6
Molecular Weight467.42 g/mol
Exact Mass466.15
IUPAC Name5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
SMILESBrc1cnc(NC2CCCCC2)cc1-c1cc2cnccc2c(N2CCNCC2)n1
InChIInChI=1S/C23H27BrN6/c24-20-15-27-22(28-17-4-2-1-3-5-17)13-19(20)21-12-16-14-26-7-6-18(16)23(29-21)30-10-8-25-9-11-30/h6-7,12-15,17,25H,1-5,8-11H2,(H,27,28)
InChIKeyAQHQFKOMMPJJGQ-UHFFFAOYSA-N
XLogP4.61
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine (CID 67026595) is 5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine is Brc1cnc(NC2CCCCC2)cc1-c1cc2cnccc2c(N2CCNCC2)n1.
What is the InChIKey of 5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
The InChIKey is AQHQFKOMMPJJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN6/c24-20-15-27-22(28-17-4-2-1-3-5-17)13-19(20)21-12-16-14-26-7-6-18(16)23(29-21)30-10-8-25-9-11-30/h6-7,12-15,17,25H,1-5,8-11H2,(H,27,28).
What are the key properties of 5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine?
5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine has a molecular weight of 467.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 67026595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).