1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine

C15H21BrN4 — CID 106286919

IUPAC1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H21BrN4/c1-3-10(4-2)12(17)9-19-13-5-6-18-14-7-11(16)8-20-15(13)14/h5-8,10,12H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyBCWGXOTZYWZPSA-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.57
Rot. Bonds6

About 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine

1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine (PubChem CID 106286919) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
PubChem CID106286919
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H21BrN4/c1-3-10(4-2)12(17)9-19-13-5-6-18-14-7-11(16)8-20-15(13)14/h5-8,10,12H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyBCWGXOTZYWZPSA-UHFFFAOYSA-N
XLogP3.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
CID 67052452
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
CID 106231224
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483385
7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
CID 133465726
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133481608
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 91660936
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine?
The IUPAC name of 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine (CID 106286919) is 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine is CCC(CC)C(N)CNc1ccnc2cc(Br)cnc12.
What is the InChIKey of 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine?
The InChIKey is BCWGXOTZYWZPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-3-10(4-2)12(17)9-19-13-5-6-18-14-7-11(16)8-20-15(13)14/h5-8,10,12H,3-4,9,17H2,1-2H3,(H,18,19).
What are the key properties of 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine?
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine has a molecular weight of 337.27 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine is sourced from PubChem (CID 106286919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).