5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane

C67H88BrN7O9 — CID 165043999

About 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane

5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane (PubChem CID 165043999) has the molecular formula C67H88BrN7O9 and a molecular weight of 1215.38 g/mol. Its IUPAC name is 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane.

Molecular Properties

• Compound Name: 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane
• PubChem CID: 165043999
• Molecular Formula: C67H88BrN7O9
• Molecular Weight: 1215.38 g/mol
• Exact Mass: 1213.58
• IUPAC Name: 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane
• SMILES: Brc1ccc(OCc2ccccc2)nc1.C.CC(C)(C)OC(=O)N1CCCc2ccc(CCCCCCC(=O)c3ccc(OCc4ccccc4)nc3)nc21.CON(C)C(=O)CCCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2
• InChI: InChI=1S/C32H39N3O4.C22H35N3O4.C12H10BrNO.CH4/c1-32(2,3)39-31(37)35-21-11-14-25-17-19-27(34-30(25)35)15-9-4-5-10-16-28(36)26-18-20-29(33-22-26)38-23-24-12-7-6-8-13-24;1-22(2,3)29-21(27)25-16-10-11-17-14-15-18(23-20(17)25)12-8-6-7-9-13-19(26)24(4)28-5;13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10;/h6-8,12-13,17-20,22H,4-5,9-11,14-16,21,23H2,1-3H3;14-15H,6-13,16H2,1-5H3;1-8H,9H2;1H4
• InChIKey: OPBHXOHCBIYJFZ-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 175.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1215.38
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

The IUPAC name of 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane (CID 165043999) is 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane.

What is the SMILES notation for 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

The canonical SMILES for 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane is Brc1ccc(OCc2ccccc2)nc1.C.CC(C)(C)OC(=O)N1CCCc2ccc(CCCCCCC(=O)c3ccc(OCc4ccccc4)nc3)nc21.CON(C)C(=O)CCCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.

What is the InChIKey of 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

The InChIKey is OPBHXOHCBIYJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O4.C22H35N3O4.C12H10BrNO.CH4/c1-32(2,3)39-31(37)35-21-11-14-25-17-19-27(34-30(25)35)15-9-4-5-10-16-28(36)26-18-20-29(33-22-26)38-23-24-12-7-6-8-13-24;1-22(2,3)29-21(27)25-16-10-11-17-14-15-18(23-20(17)25)12-8-6-7-9-13-19(26)24(4)28-5;13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10;/h6-8,12-13,17-20,22H,4-5,9-11,14-16,21,23H2,1-3H3;14-15H,6-13,16H2,1-5H3;1-8H,9H2;1H4.

What are the key properties of 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane has a molecular weight of 1215.38 g/mol, XLogP of 15.46, 22 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane is sourced from PubChem (CID 165043999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).