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

C13H15BrN4 — CID 113398557

IUPACN-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1ncccc1Br
InChIInChI=1S/C13H15BrN4/c1-2-5-17-13(11-9-15-7-8-16-11)12-10(14)4-3-6-18-12/h3-4,6-9,13,17H,2,5H2,1H3
InChIKeyIKYOPNQDVBLYKJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.72
Rot. Bonds5

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

N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 113398557) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID113398557
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC NameN-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1ncccc1Br
InChIInChI=1S/C13H15BrN4/c1-2-5-17-13(11-9-15-7-8-16-11)12-10(14)4-3-6-18-12/h3-4,6-9,13,17H,2,5H2,1H3
InChIKeyIKYOPNQDVBLYKJ-UHFFFAOYSA-N
XLogP2.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[pyrazin-2-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105150036
N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 104738716
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 113398557) is N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cnccn1)c1ncccc1Br.
What is the InChIKey of N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is IKYOPNQDVBLYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-2-5-17-13(11-9-15-7-8-16-11)12-10(14)4-3-6-18-12/h3-4,6-9,13,17H,2,5H2,1H3.
What are the key properties of N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 307.19 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 113398557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).