2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate

C23H31N3O4 — CID 152831744

IUPAC2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
SMILESCCOC1NC=C(C)C2=C1C(c1ccc(C)cc1OC)C(C(=O)OCCN)=C(C)N2
InChIInChI=1S/C23H31N3O4/c1-6-29-22-20-19(16-8-7-13(2)11-17(16)28-5)18(23(27)30-10-9-24)15(4)26-21(20)14(3)12-25-22/h7-8,11-12,19,22,25-26H,6,9-10,24H2,1-5H3
InChIKeySWIOPMFMIVHQEX-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.59
Rot. Bonds7

About 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate

2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate (PubChem CID 152831744) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
PubChem CID152831744
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
SMILESCCOC1NC=C(C)C2=C1C(c1ccc(C)cc1OC)C(C(=O)OCCN)=C(C)N2
InChIInChI=1S/C23H31N3O4/c1-6-29-22-20-19(16-8-7-13(2)11-17(16)28-5)18(23(27)30-10-9-24)15(4)26-21(20)14(3)12-25-22/h7-8,11-12,19,22,25-26H,6,9-10,24H2,1-5H3
InChIKeySWIOPMFMIVHQEX-UHFFFAOYSA-N
XLogP2.59
TPSA94.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate with MolForge

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Related Compounds

5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid
CID 145007776
2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 162238995
2-cyanoethyl 4-(4-amino-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 146642322
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide
CID 170687340
ethane;methane;propyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 145007763
butyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7451999
2-methoxyethyl (4S)-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7733634
ethyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 675136
ethyl (4R)-6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1016450
ethyl 6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2847674
ethyl (4S)-6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1016448
diethyl 4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 2748276

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate?
The IUPAC name of 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate (CID 152831744) is 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate is CCOC1NC=C(C)C2=C1C(c1ccc(C)cc1OC)C(C(=O)OCCN)=C(C)N2.
What is the InChIKey of 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate?
The InChIKey is SWIOPMFMIVHQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-6-29-22-20-19(16-8-7-13(2)11-17(16)28-5)18(23(27)30-10-9-24)15(4)26-21(20)14(3)12-25-22/h7-8,11-12,19,22,25-26H,6,9-10,24H2,1-5H3.
What are the key properties of 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate?
2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 413.52 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 152831744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).