(3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane

C138H210N22O28 — CID 164994895

About (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane

(3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane (PubChem CID 164994895) has the molecular formula C138H210N22O28 and a molecular weight of 2625.32 g/mol. Its IUPAC name is (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane.

Molecular Properties

• Compound Name: (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane
• PubChem CID: 164994895
• Molecular Formula: C138H210N22O28
• Molecular Weight: 2625.32 g/mol
• Exact Mass: 2623.57
• IUPAC Name: (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane
• SMILES: C.C.CCOC(=O)C[C@H](CCCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)c1ccc(=O)n(CCOCCOCCOCCN=[N+]=[N-])c1.CCOC(=O)C[C@H](CCCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)c1ccc(OCCOCCOCCOCCN=[N+]=[N-])nc1.[N-]=[N+]=NCCOCCOCCOCCOc1ccc([C@@H](CCCCCCc2ccc3c(n2)CCCC3)CC(=O)O)cn1.[N-]=[N+]=NCCOCCOCCOCCn1cc([C@@H](CCCCCCc2ccc3c(n2)CCCC3)CC(=O)O)ccc1=O
• InChI: InChI=1S/2C37H56N6O8.2C31H45N5O6.2CH4/c1-5-50-34(45)27-30(31-15-17-33(44)42(28-31)20-22-48-24-26-49-25-23-47-21-18-39-41-38)11-8-6-7-9-13-32-16-14-29-12-10-19-43(35(29)40-32)36(46)51-37(2,3)4;1-5-49-34(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;32-35-33-15-17-40-19-21-42-22-20-41-18-16-36-24-27(12-14-30(36)37)26(23-31(38)39)8-3-1-2-4-9-28-13-11-25-7-5-6-10-29(25)34-28;32-36-34-15-16-39-17-18-40-19-20-41-21-22-42-30-14-12-27(24-33-30)26(23-31(37)38)8-3-1-2-4-9-28-13-11-25-7-5-6-10-29(25)35-28;;/h2*14-17,28,30H,5-13,18-27H2,1-4H3;11-14,24,26H,1-10,15-23H2,(H,38,39);11-14,24,26H,1-10,15-23H2,(H,37,38);2*1H4/t2*30-;2*26-;;/m0000../s1
• InChIKey: HKJXDFIXLHMTGR-BMCZSBFUSA-N
• XLogP: 26.01
• TPSA: 631.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 92
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2625.32
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', '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'}

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

The IUPAC name of (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane (CID 164994895) is (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane.

What is the SMILES notation for (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

The canonical SMILES for (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane is C.C.CCOC(=O)C[C@H](CCCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)c1ccc(=O)n(CCOCCOCCOCCN=[N+]=[N-])c1.CCOC(=O)C[C@H](CCCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)c1ccc(OCCOCCOCCOCCN=[N+]=[N-])nc1.[N-]=[N+]=NCCOCCOCCOCCOc1ccc([C@@H](CCCCCCc2ccc3c(n2)CCCC3)CC(=O)O)cn1.[N-]=[N+]=NCCOCCOCCOCCn1cc([C@@H](CCCCCCc2ccc3c(n2)CCCC3)CC(=O)O)ccc1=O.

What is the InChIKey of (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

The InChIKey is HKJXDFIXLHMTGR-BMCZSBFUSA-N. The full InChI is InChI=1S/2C37H56N6O8.2C31H45N5O6.2CH4/c1-5-50-34(45)27-30(31-15-17-33(44)42(28-31)20-22-48-24-26-49-25-23-47-21-18-39-41-38)11-8-6-7-9-13-32-16-14-29-12-10-19-43(35(29)40-32)36(46)51-37(2,3)4;1-5-49-34(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;32-35-33-15-17-40-19-21-42-22-20-41-18-16-36-24-27(12-14-30(36)37)26(23-31(38)39)8-3-1-2-4-9-28-13-11-25-7-5-6-10-29(25)34-28;32-36-34-15-16-39-17-18-40-19-20-41-21-22-42-30-14-12-27(24-33-30)26(23-31(37)38)8-3-1-2-4-9-28-13-11-25-7-5-6-10-29(25)35-28;;/h2*14-17,28,30H,5-13,18-27H2,1-4H3;11-14,24,26H,1-10,15-23H2,(H,38,39);11-14,24,26H,1-10,15-23H2,(H,37,38);2*1H4/t2*30-;2*26-;;/m0000../s1.

What are the key properties of (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

(3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane has a molecular weight of 2625.32 g/mol, XLogP of 26.01, 92 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;(3S)-3-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;tert-butyl 7-[(7S)-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-[(7S)-7-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-oxo-3-pyridinyl]-9-ethoxy-9-oxononyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane is sourced from PubChem (CID 164994895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).