7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine

C14H16BrN3O2 — CID 104891823

IUPAC7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCC1(C)OCC(CNc2ccnc3cc(Br)cnc23)O1
InChIInChI=1S/C14H16BrN3O2/c1-14(2)19-8-10(20-14)7-17-11-3-4-16-12-5-9(15)6-18-13(11)12/h3-6,10H,7-8H2,1-2H3,(H,16,17)
InChIKeyVGJABINEOXKBNL-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.96
Rot. Bonds3

About 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine

7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine (PubChem CID 104891823) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine
PubChem CID104891823
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCC1(C)OCC(CNc2ccnc3cc(Br)cnc23)O1
InChIInChI=1S/C14H16BrN3O2/c1-14(2)19-8-10(20-14)7-17-11-3-4-16-12-5-9(15)6-18-13(11)12/h3-6,10H,7-8H2,1-2H3,(H,16,17)
InChIKeyVGJABINEOXKBNL-UHFFFAOYSA-N
XLogP2.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine with MolForge

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Related Compounds

7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
7-bromo-N-(morpholin-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 103549139
7-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-1,5-naphthyridin-4-amine
CID 116646580
7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 107389302
5-bromo-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]benzonitrile
CID 107389663
7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555
7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 104762658
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
CID 107389192
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine (CID 104891823) is 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine is CC1(C)OCC(CNc2ccnc3cc(Br)cnc23)O1.
What is the InChIKey of 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine?
The InChIKey is VGJABINEOXKBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-14(2)19-8-10(20-14)7-17-11-3-4-16-12-5-9(15)6-18-13(11)12/h3-6,10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine has a molecular weight of 338.21 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 104891823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).