tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C13H19N3O2 — CID 130140958

IUPACtert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)c2cccnc21
InChIInChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-8-6-10(14)9-5-4-7-15-11(9)16/h4-5,7,10H,6,8,14H2,1-3H3
InChIKeyUWZQDSMJOIIVLK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.23
Rot. Bonds

About tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 130140958) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID130140958
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nametert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)c2cccnc21
InChIInChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-8-6-10(14)9-5-4-7-15-11(9)16/h4-5,7,10H,6,8,14H2,1-3H3
InChIKeyUWZQDSMJOIIVLK-UHFFFAOYSA-N
XLogP2.23
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 71700032
tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 155571856
tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 57366387
tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 146402292
tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 59665455
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 102541722
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 130140958) is tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)c2cccnc21.
What is the InChIKey of tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is UWZQDSMJOIIVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-8-6-10(14)9-5-4-7-15-11(9)16/h4-5,7,10H,6,8,14H2,1-3H3.
What are the key properties of tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 130140958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).