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

C14H20N2O2 — CID 142416957

IUPACtert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC1Cc2ncccc2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O2/c1-10-8-12-11(6-5-7-15-12)9-16(10)13(17)18-14(2,3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyTXUQYTOQKSWSAX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.76
Rot. Bonds

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

tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 142416957) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID142416957
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC1Cc2ncccc2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O2/c1-10-8-12-11(6-5-7-15-12)9-16(10)13(17)18-14(2,3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyTXUQYTOQKSWSAX-UHFFFAOYSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 162342912
tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 122364870
tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 154631016
tert-butyl (6S)-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 155131416
tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 153373718
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 71700032
tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 69109610
tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 59406986
tert-butyl 1-methoxy-1,3-dihydroisoindole-2-carboxylate
CID 56849682
ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone
CID 143089412
tert-butyl 8-(aminomethyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 171786850

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 142416957) is tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CC1Cc2ncccc2CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is TXUQYTOQKSWSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-12-11(6-5-7-15-12)9-16(10)13(17)18-14(2,3)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 142416957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).