N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C65H62BBr3N14O12 — CID 162284881

IUPACN-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cccnc2)OC1(C)C.NC(=O)N1CCC(=O)c2cc(Br)cnc21.NC(=O)N1CCC(O)c2cc(-c3cccnc3)cnc21.O=C(NC(=O)N1CCC(=O)c2cc(Br)cnc21)c1ccccc1.O=C1CCNc2ncc(Br)cc21.O=NC(=O)c1ccccc1
InChIInChI=1S/C16H12BrN3O3.C14H14N4O2.C11H16BNO2.C9H8BrN3O2.C8H7BrN2O.C7H5NO2/c17-11-8-12-13(21)6-7-20(14(12)18-9-11)16(23)19-15(22)10-4-2-1-3-5-10;15-14(20)18-5-3-12(19)11-6-10(8-17-13(11)18)9-2-1-4-16-7-9;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;10-5-3-6-7(14)1-2-13(9(11)15)8(6)12-4-5;9-5-3-6-7(12)1-2-10-8(6)11-4-5;9-7(8-10)6-4-2-1-3-5-6/h1-5,8-9H,6-7H2,(H,19,22,23);1-2,4,6-8,12,19H,3,5H2,(H2,15,20);5-8H,1-4H3;3-4H,1-2H2,(H2,11,15);3-4H,1-2H2,(H,10,11);1-5H
InChIKeyYGUVDAUANSTEFM-UHFFFAOYSA-N
MW1481.82 g/mol
LogP10.38
Rot. Bonds4

About N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 162284881) has the molecular formula C65H62BBr3N14O12 and a molecular weight of 1481.82 g/mol. Its IUPAC name is N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound NameN-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID162284881
Molecular FormulaC65H62BBr3N14O12
Molecular Weight1481.82 g/mol
Exact Mass1478.23
IUPAC NameN-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cccnc2)OC1(C)C.NC(=O)N1CCC(=O)c2cc(Br)cnc21.NC(=O)N1CCC(O)c2cc(-c3cccnc3)cnc21.O=C(NC(=O)N1CCC(=O)c2cc(Br)cnc21)c1ccccc1.O=C1CCNc2ncc(Br)cc21.O=NC(=O)c1ccccc1
InChIInChI=1S/C16H12BrN3O3.C14H14N4O2.C11H16BNO2.C9H8BrN3O2.C8H7BrN2O.C7H5NO2/c17-11-8-12-13(21)6-7-20(14(12)18-9-11)16(23)19-15(22)10-4-2-1-3-5-10;15-14(20)18-5-3-12(19)11-6-10(8-17-13(11)18)9-2-1-4-16-7-9;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;10-5-3-6-7(14)1-2-13(9(11)15)8(6)12-4-5;9-5-3-6-7(12)1-2-10-8(6)11-4-5;9-7(8-10)6-4-2-1-3-5-6/h1-5,8-9H,6-7H2,(H,19,22,23);1-2,4,6-8,12,19H,3,5H2,(H2,15,20);5-8H,1-4H3;3-4H,1-2H2,(H2,11,15);3-4H,1-2H2,(H,10,11);1-5H
InChIKeyYGUVDAUANSTEFM-UHFFFAOYSA-N
XLogP10.38
TPSA367.84 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds4
Heavy Atoms95
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001481.82
LogP ≤ 510.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 162284881) is N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cccnc2)OC1(C)C.NC(=O)N1CCC(=O)c2cc(Br)cnc21.NC(=O)N1CCC(O)c2cc(-c3cccnc3)cnc21.O=C(NC(=O)N1CCC(=O)c2cc(Br)cnc21)c1ccccc1.O=C1CCNc2ncc(Br)cc21.O=NC(=O)c1ccccc1.
What is the InChIKey of N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is YGUVDAUANSTEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3.C14H14N4O2.C11H16BNO2.C9H8BrN3O2.C8H7BrN2O.C7H5NO2/c17-11-8-12-13(21)6-7-20(14(12)18-9-11)16(23)19-15(22)10-4-2-1-3-5-10;15-14(20)18-5-3-12(19)11-6-10(8-17-13(11)18)9-2-1-4-16-7-9;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;10-5-3-6-7(14)1-2-13(9(11)15)8(6)12-4-5;9-5-3-6-7(12)1-2-10-8(6)11-4-5;9-7(8-10)6-4-2-1-3-5-6/h1-5,8-9H,6-7H2,(H,19,22,23);1-2,4,6-8,12,19H,3,5H2,(H2,15,20);5-8H,1-4H3;3-4H,1-2H2,(H2,11,15);3-4H,1-2H2,(H,10,11);1-5H.
What are the key properties of N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1481.82 g/mol, XLogP of 10.38, 4 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4-hydroxy-6-pyridin-3-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 162284881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).