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

C64H83BBr3Cl2N13O8 — CID 158072957

IUPAC5-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
SMILESC.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(N3CCCNC3=O)c2)ccn1.Cc1ncc(Br)cc1CC(=O)CCCCCl.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1N1CCCNC1=O.O=C=NCCCCl
InChIInChI=1S/C17H19N5O2.C14H20BNO3.C12H15BrClNO.C10H12BrN3O.C6H7BrN2.C4H6ClNO.CH4/c1-11-15(22-7-3-5-19-17(22)24)8-14(10-20-11)13-4-6-18-16(9-13)21-12(2)23;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-9-10(6-11(13)8-15-9)7-12(16)4-2-3-5-14;1-7-9(5-8(11)6-13-7)14-4-2-3-12-10(14)15;1-4-6(8)2-5(7)3-9-4;5-2-1-3-6-4-7;/h4,6,8-10H,3,5,7H2,1-2H3,(H,19,24)(H,18,21,23);6-7,9H,8H2,1-5H3;6,8H,2-5,7H2,1H3;5-6H,2-4H2,1H3,(H,12,15);2-3H,8H2,1H3;1-3H2;1H4
InChIKeyFMAJUSOHJJHIEU-UHFFFAOYSA-N
MW1483.88 g/mol
LogP12.91
Rot. Bonds16

About 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

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 (PubChem CID 158072957) has the molecular formula C64H83BBr3Cl2N13O8 and a molecular weight of 1483.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158072957
Molecular FormulaC64H83BBr3Cl2N13O8
Molecular Weight1483.88 g/mol
Exact Mass1479.35
IUPAC Name5-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
SMILESC.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(N3CCCNC3=O)c2)ccn1.Cc1ncc(Br)cc1CC(=O)CCCCCl.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1N1CCCNC1=O.O=C=NCCCCl
InChIInChI=1S/C17H19N5O2.C14H20BNO3.C12H15BrClNO.C10H12BrN3O.C6H7BrN2.C4H6ClNO.CH4/c1-11-15(22-7-3-5-19-17(22)24)8-14(10-20-11)13-4-6-18-16(9-13)21-12(2)23;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-9-10(6-11(13)8-15-9)7-12(16)4-2-3-5-14;1-7-9(5-8(11)6-13-7)14-4-2-3-12-10(14)15;1-4-6(8)2-5(7)3-9-4;5-2-1-3-6-4-7;/h4,6,8-10H,3,5,7H2,1-2H3,(H,19,24)(H,18,21,23);6-7,9H,8H2,1-5H3;6,8H,2-5,7H2,1H3;5-6H,2-4H2,1H3,(H,12,15);2-3H,8H2,1H3;1-3H2;1H4
InChIKeyFMAJUSOHJJHIEU-UHFFFAOYSA-N
XLogP12.91
TPSA279.17 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001483.88
LogP ≤ 512.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluorocyclobutyl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine
CID 157149246
3-bromo-1-hydroxy-5-methylsulfonylpyridin-1-ium;3-bromo-5-methylsulfonylpyridine;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 159375324
N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785667
N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide
CID 152861408
N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293552
N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;tert-butyl N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-methylphenyl]methyl]carbamate;tert-butyl N-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 167680367
N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118237846
4-bromo-7-(bromomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridine;4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;2-[(4-bromo-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-7-yl)methyl]isoindole-1,3-dione;N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;deuterio(fluoro)methane;hydrazine;isoindole-1,3-dione;methanol;tetrachloromethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 158783810
4-bromo-N-(4-propyl-2-pyridinyl)benzamide;N-(4-propyl-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 158190314
CID 160736849
CID 160736849
5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide
CID 158599706

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(N3CCCNC3=O)c2)ccn1.Cc1ncc(Br)cc1CC(=O)CCCCCl.Cc1ncc(Br)cc1N.Cc1ncc(Br)cc1N1CCCNC1=O.O=C=NCCCCl.
What is the InChIKey of 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?
The InChIKey is FMAJUSOHJJHIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2.C14H20BNO3.C12H15BrClNO.C10H12BrN3O.C6H7BrN2.C4H6ClNO.CH4/c1-11-15(22-7-3-5-19-17(22)24)8-14(10-20-11)13-4-6-18-16(9-13)21-12(2)23;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-9-10(6-11(13)8-15-9)7-12(16)4-2-3-5-14;1-7-9(5-8(11)6-13-7)14-4-2-3-12-10(14)15;1-4-6(8)2-5(7)3-9-4;5-2-1-3-6-4-7;/h4,6,8-10H,3,5,7H2,1-2H3,(H,19,24)(H,18,21,23);6-7,9H,8H2,1-5H3;6,8H,2-5,7H2,1H3;5-6H,2-4H2,1H3,(H,12,15);2-3H,8H2,1H3;1-3H2;1H4.
What are the key properties of 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?
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 has a molecular weight of 1483.88 g/mol, XLogP of 12.91, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158072957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).