7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine

C13H12BrN3 — CID 106231224

IUPAC7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
SMILESC#CC(CC)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H12BrN3/c1-3-10(4-2)17-11-5-6-15-12-7-9(14)8-16-13(11)12/h1,5-8,10H,4H2,2H3,(H,15,17)
InChIKeyIOCAYKANQFRSQZ-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.22
Rot. Bonds3

About 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine

7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine (PubChem CID 106231224) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
PubChem CID106231224
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
SMILESC#CC(CC)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H12BrN3/c1-3-10(4-2)17-11-5-6-15-12-7-9(14)8-16-13(11)12/h1,5-8,10H,4H2,2H3,(H,15,17)
InChIKeyIOCAYKANQFRSQZ-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine
CID 113394587
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111680
5-bromo-N-pent-1-yn-3-ylpyrimidin-2-amine
CID 103578187
7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891854
7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483808
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
CID 67052452
3-chloro-N-pent-1-yn-3-ylpyridin-4-amine
CID 106231343
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine (CID 106231224) is 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine is C#CC(CC)Nc1ccnc2cc(Br)cnc12.
What is the InChIKey of 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine?
The InChIKey is IOCAYKANQFRSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c1-3-10(4-2)17-11-5-6-15-12-7-9(14)8-16-13(11)12/h1,5-8,10H,4H2,2H3,(H,15,17).
What are the key properties of 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine?
7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine has a molecular weight of 290.16 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 106231224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).