7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine

C14H16BrN3O2 — CID 104762658

IUPAC7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCOC1(CNc2ccnc3cc(Br)cnc23)CCOC1
InChIInChI=1S/C14H16BrN3O2/c1-19-14(3-5-20-9-14)8-18-11-2-4-16-12-6-10(15)7-17-13(11)12/h2,4,6-7H,3,5,8-9H2,1H3,(H,16,18)
InChIKeyRRKUGFULICMLAX-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.61
Rot. Bonds4

About 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine

7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine (PubChem CID 104762658) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.20 g/mol. Its IUPAC name is 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine
PubChem CID104762658
Molecular FormulaC14H16BrN3O2
Molecular Weight338.20 g/mol
Exact Mass337.04
IUPAC Name7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCOC1(CNc2ccnc3cc(Br)cnc23)CCOC1
InChIInChI=1S/C14H16BrN3O2/c1-19-14(3-5-20-9-14)8-18-11-2-4-16-12-6-10(15)7-17-13(11)12/h2,4,6-7H,3,5,8-9H2,1H3,(H,16,18)
InChIKeyRRKUGFULICMLAX-UHFFFAOYSA-N
XLogP2.61
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
CID 105367120
4-bromo-2-[(3-methoxyoxolan-3-yl)methylamino]benzenecarbothioamide
CID 114903512
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554
5-bromo-2-[(3-methoxyoxolan-3-yl)methylamino]benzonitrile
CID 104705560
3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 104705584
4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 104762255
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
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864
2-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 104762729
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104705614

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine (CID 104762658) is 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine is COC1(CNc2ccnc3cc(Br)cnc23)CCOC1.
What is the InChIKey of 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine?
The InChIKey is RRKUGFULICMLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-19-14(3-5-20-9-14)8-18-11-2-4-16-12-6-10(15)7-17-13(11)12/h2,4,6-7H,3,5,8-9H2,1H3,(H,16,18).
What are the key properties of 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine has a molecular weight of 338.20 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 104762658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).