1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one

C59H72BBr5ClN13O8 — CID 159339345

IUPAC1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(=O)Nc1cccc(-c2cnc(N)c(N3CCCC3=O)c2)c1.Nc1cc(Br)cnc1N.Nc1ncc(Br)cc1CC(=O)CCCBr.Nc1ncc(Br)cc1N1CCCC1=O.O=C(Cl)CCCBr
InChIInChI=1S/C17H18N4O2.C14H20BNO3.C10H12Br2N2O.C9H10BrN3O.C5H6BrN3.C4H6BrClO/c1-11(22)20-14-5-2-4-12(8-14)13-9-15(17(18)19-10-13)21-7-3-6-16(21)23;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;11-3-1-2-9(15)5-7-4-8(12)6-14-10(7)13;10-6-4-7(9(11)12-5-6)13-3-1-2-8(13)14;6-3-1-4(7)5(8)9-2-3;5-3-1-2-4(6)7/h2,4-5,8-10H,3,6-7H2,1H3,(H2,18,19)(H,20,22);6-7,9H,8H2,1-5H3;4,6H,1-3,5H2,(H2,13,14);4-5H,1-3H2,(H2,11,12);1-2H,7H2,(H2,8,9);1-3H2
InChIKeyLFYDUGLCWKINNI-UHFFFAOYSA-N
MW1537.09 g/mol
LogP11.13
Rot. Bonds15

About 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one

1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one (PubChem CID 159339345) has the molecular formula C59H72BBr5ClN13O8 and a molecular weight of 1537.09 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one
PubChem CID159339345
Molecular FormulaC59H72BBr5ClN13O8
Molecular Weight1537.09 g/mol
Exact Mass1531.13
IUPAC Name1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(=O)Nc1cccc(-c2cnc(N)c(N3CCCC3=O)c2)c1.Nc1cc(Br)cnc1N.Nc1ncc(Br)cc1CC(=O)CCCBr.Nc1ncc(Br)cc1N1CCCC1=O.O=C(Cl)CCCBr
InChIInChI=1S/C17H18N4O2.C14H20BNO3.C10H12Br2N2O.C9H10BrN3O.C5H6BrN3.C4H6BrClO/c1-11(22)20-14-5-2-4-12(8-14)13-9-15(17(18)19-10-13)21-7-3-6-16(21)23;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;11-3-1-2-9(15)5-7-4-8(12)6-14-10(7)13;10-6-4-7(9(11)12-5-6)13-3-1-2-8(13)14;6-3-1-4(7)5(8)9-2-3;5-3-1-2-4(6)7/h2,4-5,8-10H,3,6-7H2,1H3,(H2,18,19)(H,20,22);6-7,9H,8H2,1-5H3;4,6H,1-3,5H2,(H2,13,14);4-5H,1-3H2,(H2,11,12);1-2H,7H2,(H2,8,9);1-3H2
InChIKeyLFYDUGLCWKINNI-UHFFFAOYSA-N
XLogP11.13
TPSA333.94 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001537.09
LogP ≤ 511.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one with MolForge

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Related Compounds

N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2-(5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;2,4-difluorobenzoyl chloride;iodomethane;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 157586746
N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2-(5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;2,4-difluorobenzoyl chloride;iodomethane;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 157899579
5-bromo-2-methylpyridin-3-amine;1-(5-bromo-2-methyl-3-pyridinyl)-6-chlorohexan-2-one;1-(5-bromo-2-methyl-3-pyridinyl)-1,3-diazinan-2-one;1-chloro-3-isocyanatopropane;methane;N-[4-[6-methyl-5-(2-oxo-1,3-diazinan-1-yl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one
CID 158072957
N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 161321167
1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[4-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one
CID 161462615
N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2-(5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 161762798
benzoyl chloride;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1-phenylethanone;N-[4-(5-phenacyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 162254930

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one?
The IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one (CID 159339345) is 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(=O)Nc1cccc(-c2cnc(N)c(N3CCCC3=O)c2)c1.Nc1cc(Br)cnc1N.Nc1ncc(Br)cc1CC(=O)CCCBr.Nc1ncc(Br)cc1N1CCCC1=O.O=C(Cl)CCCBr.
What is the InChIKey of 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one?
The InChIKey is LFYDUGLCWKINNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.C14H20BNO3.C10H12Br2N2O.C9H10BrN3O.C5H6BrN3.C4H6BrClO/c1-11(22)20-14-5-2-4-12(8-14)13-9-15(17(18)19-10-13)21-7-3-6-16(21)23;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;11-3-1-2-9(15)5-7-4-8(12)6-14-10(7)13;10-6-4-7(9(11)12-5-6)13-3-1-2-8(13)14;6-3-1-4(7)5(8)9-2-3;5-3-1-2-4(6)7/h2,4-5,8-10H,3,6-7H2,1H3,(H2,18,19)(H,20,22);6-7,9H,8H2,1-5H3;4,6H,1-3,5H2,(H2,13,14);4-5H,1-3H2,(H2,11,12);1-2H,7H2,(H2,8,9);1-3H2.
What are the key properties of 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one?
1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one has a molecular weight of 1537.09 g/mol, XLogP of 11.13, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-3-pyridinyl)-5-bromopentan-2-one;1-(2-amino-5-bromo-3-pyridinyl)pyrrolidin-2-one;N-[3-[6-amino-5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]phenyl]acetamide;4-bromobutanoyl chloride;5-bromopyridine-2,3-diamine;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 159339345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).