methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate

C13H16N2O3 — CID 58324480

IUPACmethyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate
SMILESCCN1c2ncc(C(=O)OC)cc2CC(=O)[C@@H]1C
InChIInChI=1S/C13H16N2O3/c1-4-15-8(2)11(16)6-9-5-10(13(17)18-3)7-14-12(9)15/h5,7-8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyKSCBRUUGLQWKTB-QMMMGPOBSA-N
MW248.28 g/mol
LogP1.21
Rot. Bonds2

About methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate

methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate (PubChem CID 58324480) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate
PubChem CID58324480
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate
SMILESCCN1c2ncc(C(=O)OC)cc2CC(=O)[C@@H]1C
InChIInChI=1S/C13H16N2O3/c1-4-15-8(2)11(16)6-9-5-10(13(17)18-3)7-14-12(9)15/h5,7-8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyKSCBRUUGLQWKTB-QMMMGPOBSA-N
XLogP1.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[3-(difluoromethoxy)phenyl]-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 163242217
methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate
CID 142502746
methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 167714378
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-nitropyridine-3-carboxylate
CID 168662345
methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate
CID 158116038
methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate
CID 168900268
methyl 5-chloro-6-[(3S)-3-ethylpiperazin-1-yl]pyridine-3-carboxylate
CID 59772633
methyl 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-bromopyridine-3-carboxylate
CID 168656334
methyl 6-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-5-nitropyridine-3-carboxylate
CID 168693362
methyl (7S)-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxylate
CID 118274912
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
methyl 6-(4-formylpiperazin-1-yl)-5-methylpyridine-3-carboxylate
CID 102544920

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate (CID 58324480) is methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate is CCN1c2ncc(C(=O)OC)cc2CC(=O)[C@@H]1C.
What is the InChIKey of methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate?
The InChIKey is KSCBRUUGLQWKTB-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-15-8(2)11(16)6-9-5-10(13(17)18-3)7-14-12(9)15/h5,7-8H,4,6H2,1-3H3/t8-/m0/s1.
What are the key properties of methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate?
methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 58324480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).