2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C21H24ClN3O4 — CID 142580150

IUPAC2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCOCCOC(=O)N1CCCc2nc(C(C)NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H24ClN3O4/c1-14(23-20(26)15-5-7-16(22)8-6-15)17-9-10-19-18(24-17)4-3-11-25(19)21(27)29-13-12-28-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,26)
InChIKeyCMDCJKNGWJEUBR-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.76
Rot. Bonds6

About 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 142580150) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID142580150
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCOCCOC(=O)N1CCCc2nc(C(C)NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H24ClN3O4/c1-14(23-20(26)15-5-7-16(22)8-6-15)17-9-10-19-18(24-17)4-3-11-25(19)21(27)29-13-12-28-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,26)
InChIKeyCMDCJKNGWJEUBR-UHFFFAOYSA-N
XLogP3.76
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 162649592
N-[1-[5-(3,5-dichlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580335
cyclobutyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580114
cyclopentyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580192
N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580536
4-fluoro-N-[1-[5-(4-fluoropyridine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580167
4-fluoro-N-[1-[5-(6-methoxypyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580538
4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580553
3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one
CID 158326512
2-phenoxypropyl 6-[1-(4-fluoroanilino)ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 155093167
4-fluoro-N-[1-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethyl]benzamide;(1-methylpyrazol-3-yl)methyl formate
CID 142580558
4-chloro-N-propan-2-ylbenzamide
CID 24045

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 142580150) is 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is COCCOC(=O)N1CCCc2nc(C(C)NC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is CMDCJKNGWJEUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-14(23-20(26)15-5-7-16(22)8-6-15)17-9-10-19-18(24-17)4-3-11-25(19)21(27)29-13-12-28-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,26).
What are the key properties of 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 417.89 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 142580150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).