N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine

C14H17BrN4 — CID 104801443

IUPACN-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1cnccn1
InChIInChI=1S/C14H17BrN4/c1-2-3-18-13(14-10-16-4-5-19-14)7-11-6-12(15)9-17-8-11/h4-6,8-10,13,18H,2-3,7H2,1H3
InChIKeyQCULHQWVUVNKJV-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine

N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine (PubChem CID 104801443) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
PubChem CID104801443
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1cnccn1
InChIInChI=1S/C14H17BrN4/c1-2-3-18-13(14-10-16-4-5-19-14)7-11-6-12(15)9-17-8-11/h4-6,8-10,13,18H,2-3,7H2,1H3
InChIKeyQCULHQWVUVNKJV-UHFFFAOYSA-N
XLogP2.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 104803750
N-[2-(5-bromo-3-pyridinyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 113455089
N-[2-(5-bromo-3-pyridinyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 104802078
N-[2-(5-bromo-3-pyridinyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 104803654
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
N-[2-(5-bromo-3-pyridinyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105181205
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
CID 105036582
N-[2-(5-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 104801776

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine (CID 104801443) is N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine is CCCNC(Cc1cncc(Br)c1)c1cnccn1.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine?
The InChIKey is QCULHQWVUVNKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-2-3-18-13(14-10-16-4-5-19-14)7-11-6-12(15)9-17-8-11/h4-6,8-10,13,18H,2-3,7H2,1H3.
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine?
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine has a molecular weight of 321.22 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 104801443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).