tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

C13H19N3O2 — CID 71700032

IUPACtert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2ncccc2C(N)C1
InChIInChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-6-15-11(9)8-16/h4-6,10H,7-8,14H2,1-3H3
InChIKeyHWFQJVDKHIDJJT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.83
Rot. Bonds

About tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (PubChem CID 71700032) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
PubChem CID71700032
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nametert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2ncccc2C(N)C1
InChIInChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-6-15-11(9)8-16/h4-6,10H,7-8,14H2,1-3H3
InChIKeyHWFQJVDKHIDJJT-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130140958
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CID 67874135
tert-butyl (4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95735407
tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 122364870
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CID 170633547
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CID 124585586
tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 59406986
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The IUPAC name of tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (CID 71700032) is tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The canonical SMILES for tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is CC(C)(C)OC(=O)N1Cc2ncccc2C(N)C1.
What is the InChIKey of tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The InChIKey is HWFQJVDKHIDJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-6-15-11(9)8-16/h4-6,10H,7-8,14H2,1-3H3.
What are the key properties of tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is sourced from PubChem (CID 71700032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).