3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine

C17H21BrN4 — CID 122531755

IUPAC3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCCc1c(-c2cccc(N3CCNCC3)c2)cnc(N)c1Br
InChIInChI=1S/C17H21BrN4/c1-2-14-15(11-21-17(19)16(14)18)12-4-3-5-13(10-12)22-8-6-20-7-9-22/h3-5,10-11,20H,2,6-9H2,1H3,(H2,19,21)
InChIKeyDUEXNHFBAQCFQL-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.07
Rot. Bonds3

About 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine

3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 122531755) has the molecular formula C17H21BrN4 and a molecular weight of 361.29 g/mol. Its IUPAC name is 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID122531755
Molecular FormulaC17H21BrN4
Molecular Weight361.29 g/mol
Exact Mass360.09
IUPAC Name3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCCc1c(-c2cccc(N3CCNCC3)c2)cnc(N)c1Br
InChIInChI=1S/C17H21BrN4/c1-2-14-15(11-21-17(19)16(14)18)12-4-3-5-13(10-12)22-8-6-20-7-9-22/h3-5,10-11,20H,2,6-9H2,1H3,(H2,19,21)
InChIKeyDUEXNHFBAQCFQL-UHFFFAOYSA-N
XLogP3.07
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine (CID 122531755) is 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine is CCc1c(-c2cccc(N3CCNCC3)c2)cnc(N)c1Br.
What is the InChIKey of 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is DUEXNHFBAQCFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4/c1-2-14-15(11-21-17(19)16(14)18)12-4-3-5-13(10-12)22-8-6-20-7-9-22/h3-5,10-11,20H,2,6-9H2,1H3,(H2,19,21).
What are the key properties of 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine?
3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 361.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 122531755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).