lithium;5-bromo-2-phenylmethoxypyridine;butane;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

C70H93BrLiN7O9 — CID 160886387

IUPAClithium;5-bromo-2-phenylmethoxypyridine;butane;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
SMILESBrc1ccc(OCc2ccccc2)nc1.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.[CH2-]CCC.[Li+]
InChIInChI=1S/C32H39N3O4.C22H35N3O4.C12H10BrNO.C4H9.Li/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;1-3-4-2;/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;1,3-4H2,2H3;/q;;;-1;+1
InChIKeyNATHVIOTXYKMMB-UHFFFAOYSA-N
MW1263.40 g/mol
LogP13.45
Rot. Bonds23

About lithium;5-bromo-2-phenylmethoxypyridine;butane;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

lithium;5-bromo-2-phenylmethoxypyridine;butane;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 (PubChem CID 160886387) has the molecular formula C70H93BrLiN7O9 and a molecular weight of 1263.40 g/mol. Its IUPAC name is lithium;5-bromo-2-phenylmethoxypyridine;butane;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.

Molecular Properties

Compound Namelithium;5-bromo-2-phenylmethoxypyridine;butane;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
PubChem CID160886387
Molecular FormulaC70H93BrLiN7O9
Molecular Weight1263.40 g/mol
Exact Mass1261.64
IUPAC Namelithium;5-bromo-2-phenylmethoxypyridine;butane;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
SMILESBrc1ccc(OCc2ccccc2)nc1.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.[CH2-]CCC.[Li+]
InChIInChI=1S/C32H39N3O4.C22H35N3O4.C12H10BrNO.C4H9.Li/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;1-3-4-2;/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;1,3-4H2,2H3;/q;;;-1;+1
InChIKeyNATHVIOTXYKMMB-UHFFFAOYSA-N
XLogP13.45
TPSA175.71 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.40
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze lithium;5-bromo-2-phenylmethoxypyridine;butane;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 with MolForge

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Related Compounds

tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 154643207
2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine
CID 158248448
3-Bromo-2,6-bis(phenylmethoxy)pyridine;methyl 2-aminopyridine-3-carboxylate;methyl 2-[[2,6-bis(phenylmethoxy)-3-pyridinyl]methyl]pyridine-3-carboxylate;methyl 2-[(2,6-dioxopiperidin-3-yl)methyl]pyridine-3-carboxylate
CID 160478560
1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 160524811
1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 160891570
tert-butyl 7-[(Z)-9-ethoxy-9-oxo-7-(6-phenylmethoxy-3-pyridinyl)non-7-enyl]-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;ethyl 2-diethoxyphosphorylacetate
CID 161111344
tert-butyl 7-[(7R)-9-ethoxy-9-oxo-7-(6-oxo-1H-pyridin-3-yl)nonyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(7S)-9-ethoxy-9-oxo-7-(6-oxo-1H-pyridin-3-yl)nonyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(Z)-9-ethoxy-9-oxo-7-(6-phenylmethoxy-3-pyridinyl)non-7-enyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 161381468
5-Bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 161915762
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
tert-butyl 7-[(Z)-9-ethoxy-9-oxo-7-(6-phenylmethoxy-3-pyridinyl)non-7-enyl]-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;ethyl 2-diethoxyphosphorylacetate;methane
CID 165096112
tert-butyl 7-[(7R)-9-ethoxy-9-oxo-7-(6-oxo-1H-pyridin-3-yl)nonyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(7S)-9-ethoxy-9-oxo-7-(6-oxo-1H-pyridin-3-yl)nonyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[(Z)-9-ethoxy-9-oxo-7-(6-phenylmethoxy-3-pyridinyl)non-7-enyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane
CID 165111219

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-2-phenylmethoxypyridine;butane;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?
The IUPAC name of lithium;5-bromo-2-phenylmethoxypyridine;butane;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 (CID 160886387) is lithium;5-bromo-2-phenylmethoxypyridine;butane;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.
What is the SMILES notation for lithium;5-bromo-2-phenylmethoxypyridine;butane;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?
The canonical SMILES for lithium;5-bromo-2-phenylmethoxypyridine;butane;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 is Brc1ccc(OCc2ccccc2)nc1.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.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;5-bromo-2-phenylmethoxypyridine;butane;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?
The InChIKey is NATHVIOTXYKMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O4.C22H35N3O4.C12H10BrNO.C4H9.Li/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;1-3-4-2;/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;1,3-4H2,2H3;/q;;;-1;+1.
What are the key properties of lithium;5-bromo-2-phenylmethoxypyridine;butane;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?
lithium;5-bromo-2-phenylmethoxypyridine;butane;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 has a molecular weight of 1263.40 g/mol, XLogP of 13.45, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-bromo-2-phenylmethoxypyridine;butane;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 is sourced from PubChem (CID 160886387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).