4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol

C15H18BrN3O2 — CID 114952221

IUPAC4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H18BrN3O2/c1-19(10-15(20)3-6-21-7-4-15)13-2-5-17-12-8-11(16)9-18-14(12)13/h2,5,8-9,20H,3-4,6-7,10H2,1H3
InChIKeyLZISFCQNIOEZCI-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.37
Rot. Bonds3

About 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol

4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114952221) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114952221
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H18BrN3O2/c1-19(10-15(20)3-6-21-7-4-15)13-2-5-17-12-8-11(16)9-18-14(12)13/h2,5,8-9,20H,3-4,6-7,10H2,1H3
InChIKeyLZISFCQNIOEZCI-UHFFFAOYSA-N
XLogP2.37
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

3-bromo-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzonitrile
CID 114949327
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol
CID 102635969
7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine
CID 133483821
4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114951092
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
5-bromo-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114953304
1-[3-bromo-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]phenyl]ethanone
CID 114949944
5-bromo-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949754
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156

Frequently Asked Questions

What is the IUPAC name of 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol (CID 114952221) is 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1ccnc2cc(Br)cnc12.
What is the InChIKey of 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is LZISFCQNIOEZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-19(10-15(20)3-6-21-7-4-15)13-2-5-17-12-8-11(16)9-18-14(12)13/h2,5,8-9,20H,3-4,6-7,10H2,1H3.
What are the key properties of 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol?
4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 352.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114952221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).