ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate

C16H24N2O2 — CID 116533769

IUPACethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C(C)(C)C)CCN(C)C2
InChIInChI=1S/C16H24N2O2/c1-6-20-15(19)12-9-11-10-18(5)8-7-13(11)17-14(12)16(2,3)4/h9H,6-8,10H2,1-5H3
InChIKeyOUUVDPGQKXINID-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds2

About ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate

ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate (PubChem CID 116533769) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
PubChem CID116533769
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C(C)(C)C)CCN(C)C2
InChIInChI=1S/C16H24N2O2/c1-6-20-15(19)12-9-11-10-18(5)8-7-13(11)17-14(12)16(2,3)4/h9H,6-8,10H2,1-5H3
InChIKeyOUUVDPGQKXINID-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
CID 54595310
2-ethyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116532966
6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116533203
2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 117274635
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate;hydrochloride
CID 68822583
tert-butyl 8-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate;2,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;ethane
CID 142811171
ethyl 2-tert-butyl-5-ethylpyridine-3-carboxylate
CID 116533791
ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 58117012
ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116533782
ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate
CID 116533815
ethyl 2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 116533140
3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine
CID 82452342

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate (CID 116533769) is ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(nc1C(C)(C)C)CCN(C)C2.
What is the InChIKey of ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate?
The InChIKey is OUUVDPGQKXINID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-20-15(19)12-9-11-10-18(5)8-7-13(11)17-14(12)16(2,3)4/h9H,6-8,10H2,1-5H3.
What are the key properties of ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate?
ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 116533769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).