tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C37H56N6O8 — CID 154992248

IUPACtert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCCOC(=O)C[C@@H](CCCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)c1ccc(OCCOCCOCCOCCN=[N+]=[N-])nc1
InChIInChI=1S/C37H56N6O8/c1-5-49-34(44)27-30(31-15-17-33(39-28-31)50-26-25-48-24-23-47-22-21-46-20-18-40-42-38)11-8-6-7-9-13-32-16-14-29-12-10-19-43(35(29)41-32)36(45)51-37(2,3)4/h14-17,28,30H,5-13,18-27H2,1-4H3/t30-/m1/s1
InChIKeyIIXNNBVTEPVNOO-SSEXGKCCSA-N
MW712.89 g/mol
LogP7.13
Rot. Bonds24

About tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 154992248) has the molecular formula C37H56N6O8 and a molecular weight of 712.89 g/mol. Its IUPAC name is tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID154992248
Molecular FormulaC37H56N6O8
Molecular Weight712.89 g/mol
Exact Mass712.42
IUPAC Nametert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCCOC(=O)C[C@@H](CCCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)c1ccc(OCCOCCOCCOCCN=[N+]=[N-])nc1
InChIInChI=1S/C37H56N6O8/c1-5-49-34(44)27-30(31-15-17-33(39-28-31)50-26-25-48-24-23-47-22-21-46-20-18-40-42-38)11-8-6-7-9-13-32-16-14-29-12-10-19-43(35(29)41-32)36(45)51-37(2,3)4/h14-17,28,30H,5-13,18-27H2,1-4H3/t30-/m1/s1
InChIKeyIIXNNBVTEPVNOO-SSEXGKCCSA-N
XLogP7.13
TPSA167.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500712.89
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 154992248) is tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CCOC(=O)C[C@@H](CCCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)c1ccc(OCCOCCOCCOCCN=[N+]=[N-])nc1.
What is the InChIKey of tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is IIXNNBVTEPVNOO-SSEXGKCCSA-N. The full InChI is InChI=1S/C37H56N6O8/c1-5-49-34(44)27-30(31-15-17-33(39-28-31)50-26-25-48-24-23-47-22-21-46-20-18-40-42-38)11-8-6-7-9-13-32-16-14-29-12-10-19-43(35(29)41-32)36(45)51-37(2,3)4/h14-17,28,30H,5-13,18-27H2,1-4H3/t30-/m1/s1.
What are the key properties of tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 712.89 g/mol, XLogP of 7.13, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(7R)-7-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 154992248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).