tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate

C14H20N2O3 — CID 67429177

IUPACtert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate
SMILESCC1C2=C(CNC1C(=O)OC(C)(C)C)C(=O)CN=C2
InChIInChI=1S/C14H20N2O3/c1-8-9-5-15-7-11(17)10(9)6-16-12(8)13(18)19-14(2,3)4/h5,8,12,16H,6-7H2,1-4H3
InChIKeyVKFPPRTYDMXXMJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.89
Rot. Bonds1

About tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate

tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate (PubChem CID 67429177) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate
PubChem CID67429177
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate
SMILESCC1C2=C(CNC1C(=O)OC(C)(C)C)C(=O)CN=C2
InChIInChI=1S/C14H20N2O3/c1-8-9-5-15-7-11(17)10(9)6-16-12(8)13(18)19-14(2,3)4/h5,8,12,16H,6-7H2,1-4H3
InChIKeyVKFPPRTYDMXXMJ-UHFFFAOYSA-N
XLogP0.89
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11390235
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tert-butyl 2,3-dihydroazete-3-carboxylate
CID 168984140
tert-butyl 5-oxopiperazine-2-carboxylate
CID 103846290
methyl (2S)-3-methyl-4-oxopyrrolidine-2-carboxylate;sulfane
CID 158781843
tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate
CID 165484533
tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate
CID 10511752
tert-butyl (1S,6R,7S)-3-oxo-2-azabicyclo[4.2.0]octane-7-carboxylate
CID 163662786
tert-butyl (2S,4S)-4-methyl-5-oxopyrrolidine-2-carboxylate
CID 11820076
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
tert-butyl 1-oxo-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-4-carboxylate
CID 167720519
tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate
CID 86308088

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate?
The IUPAC name of tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate (CID 67429177) is tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate is CC1C2=C(CNC1C(=O)OC(C)(C)C)C(=O)CN=C2.
What is the InChIKey of tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate?
The InChIKey is VKFPPRTYDMXXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-9-5-15-7-11(17)10(9)6-16-12(8)13(18)19-14(2,3)4/h5,8,12,16H,6-7H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate?
tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-8-oxo-2,3,4,7-tetrahydro-1H-2,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 67429177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).