tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate

C13H18N2O3 — CID 66734787

IUPACtert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-5-4-9-6-11(16)14-7-10(9)8-15/h6-7H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyPUQPFTREWSPZRE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.67
Rot. Bonds

About tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate

tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate (PubChem CID 66734787) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate
PubChem CID66734787
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nametert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-5-4-9-6-11(16)14-7-10(9)8-15/h6-7H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyPUQPFTREWSPZRE-UHFFFAOYSA-N
XLogP1.67
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 8-oxo-1,2,3,4,7,8-hexahydro-2,7-naphthyridine-2-carboxylate
CID 132190334
5-(1-Boc-4,4-difluoro-3-piperidyl)pyridin-2(1H)-one
CID 163238242
tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 22128731
7-(Tert-butyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-3-OL
CID 44227678
7-Methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 59164397
tert-butyl 1'-methyl-2'-oxo-1',2',3,6-tetrahydro-4,4'-bipyridine-1(2H)-carboxylate
CID 59402379
tert-butyl 4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carboxylate
CID 68427551
Tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate
CID 68726050
tert-butyl 3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 68735688
tert-butyl 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 68735690
4-[(Methoxymethylcarbamoyl)methylene]piperidine-1-carboxylic acid tert-butyl ester
CID 68825037
3-(1-Boc-4-piperidyl)pyridin-2(1H)-one
CID 68874784

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate?
The IUPAC name of tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate (CID 66734787) is tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate is CC(C)(C)OC(=O)N1CCc2cc(=O)[nH]cc2C1.
What is the InChIKey of tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate?
The InChIKey is PUQPFTREWSPZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-5-4-9-6-11(16)14-7-10(9)8-15/h6-7H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate?
tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 66734787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).