ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate

C25H26F2N4O5 — CID 110169229

IUPACethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(OC)nc3c2=O)CC1
InChIInChI=1S/C25H26F2N4O5/c1-3-36-25(34)30-11-9-15(10-12-30)28-24(33)17-14-31(13-16-18(26)5-4-6-19(16)27)20-7-8-21(35-2)29-22(20)23(17)32/h4-8,14-15H,3,9-13H2,1-2H3,(H,28,33)
InChIKeyAWKJHCJENVACJL-UHFFFAOYSA-N
MW500.50 g/mol
LogP3.08
Rot. Bonds6

About ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 110169229) has the molecular formula C25H26F2N4O5 and a molecular weight of 500.50 g/mol. Its IUPAC name is ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID110169229
Molecular FormulaC25H26F2N4O5
Molecular Weight500.50 g/mol
Exact Mass500.19
IUPAC Nameethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(OC)nc3c2=O)CC1
InChIInChI=1S/C25H26F2N4O5/c1-3-36-25(34)30-11-9-15(10-12-30)28-24(33)17-14-31(13-16-18(26)5-4-6-19(16)27)20-7-8-21(35-2)29-22(20)23(17)32/h4-8,14-15H,3,9-13H2,1-2H3,(H,28,33)
InChIKeyAWKJHCJENVACJL-UHFFFAOYSA-N
XLogP3.08
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-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

4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
CID 110169181
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479
ethyl 4-[[2-(2,6-difluoroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108522111
ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729
ethyl 4-[[N'-[(6-methoxy-2-pyridinyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111087819
ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 31844596
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate (CID 110169229) is ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(OC)nc3c2=O)CC1.
What is the InChIKey of ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is AWKJHCJENVACJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O5/c1-3-36-25(34)30-11-9-15(10-12-30)28-24(33)17-14-31(13-16-18(26)5-4-6-19(16)27)20-7-8-21(35-2)29-22(20)23(17)32/h4-8,14-15H,3,9-13H2,1-2H3,(H,28,33).
What are the key properties of ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 500.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110169229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).