1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol

C15H20BrN3O — CID 104891759

IUPAC1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H20BrN3O/c1-3-10(4-2)14(20)9-18-12-5-6-17-13-7-11(16)8-19-15(12)13/h5-8,10,14,20H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyLYGQMUMOVNTJHZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.60
Rot. Bonds6

About 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol

1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol (PubChem CID 104891759) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
PubChem CID104891759
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H20BrN3O/c1-3-10(4-2)14(20)9-18-12-5-6-17-13-7-11(16)8-19-15(12)13/h5-8,10,14,20H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyLYGQMUMOVNTJHZ-UHFFFAOYSA-N
XLogP3.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
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
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133481608
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-(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-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483385
7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
CID 133483569
7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
CID 133465726

Frequently Asked Questions

What is the IUPAC name of 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol (CID 104891759) is 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNc1ccnc2cc(Br)cnc12.
What is the InChIKey of 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol?
The InChIKey is LYGQMUMOVNTJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-3-10(4-2)14(20)9-18-12-5-6-17-13-7-11(16)8-19-15(12)13/h5-8,10,14,20H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol?
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol has a molecular weight of 338.25 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 104891759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).