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

C21H24FN3O4 — CID 162669830

IUPAC2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCOCCOC(=O)N1CCCc2nc([C@@H](C)NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H24FN3O4/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)/t14-/m1/s1
InChIKeyBSZJAYFSSFCTIJ-CQSZACIVSA-N
MW401.44 g/mol
LogP3.25
Rot. Bonds6

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

2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 162669830) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID162669830
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCOCCOC(=O)N1CCCc2nc([C@@H](C)NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H24FN3O4/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)/t14-/m1/s1
InChIKeyBSZJAYFSSFCTIJ-CQSZACIVSA-N
XLogP3.25
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 162669830) is 2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is COCCOC(=O)N1CCCc2nc([C@@H](C)NC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is BSZJAYFSSFCTIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24FN3O4/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)/t14-/m1/s1.
What are the key properties of 2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 401.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 162669830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).