2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide

C58H81BBr3N11O6S2 — CID 160907051

IUPAC2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide
SMILESCN(C)c1ccnc(Br)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cc(N(C)C)ccn2)c1.CNS(=O)(=O)c1ccc(NC2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1.CNc1ccnc(Br)c1.Nc1ccnc(Br)c1
InChIInChI=1S/C21H29N3O2S.C19H31BN2O4S.C7H9BrN2.C6H7BrN2.C5H5BrN2/c1-22-27(25,26)19-10-9-17(13-16-7-5-4-6-8-16)20(15-19)21-14-18(24(2)3)11-12-23-21;1-18(2)19(3,4)26-20(25-18)16-13-15(27(23,24)21-5)11-12-17(16)22-14-9-7-6-8-10-14;1-10(2)6-3-4-9-7(8)5-6;1-8-5-2-3-9-6(7)4-5;6-5-3-4(7)1-2-8-5/h9-12,14-16,22H,4-8,13H2,1-3H3;11-14,21-22H,6-10H2,1-5H3;3-5H,1-2H3;2-4H,1H3,(H,8,9);1-3H,(H2,7,8)
InChIKeySQGYGIJWOWNIJB-UHFFFAOYSA-N
MW1343.01 g/mol
LogP11.71
Rot. Bonds13

About 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide

2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide (PubChem CID 160907051) has the molecular formula C58H81BBr3N11O6S2 and a molecular weight of 1343.01 g/mol. Its IUPAC name is 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide
PubChem CID160907051
Molecular FormulaC58H81BBr3N11O6S2
Molecular Weight1343.01 g/mol
Exact Mass1339.35
IUPAC Name2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide
SMILESCN(C)c1ccnc(Br)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cc(N(C)C)ccn2)c1.CNS(=O)(=O)c1ccc(NC2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1.CNc1ccnc(Br)c1.Nc1ccnc(Br)c1
InChIInChI=1S/C21H29N3O2S.C19H31BN2O4S.C7H9BrN2.C6H7BrN2.C5H5BrN2/c1-22-27(25,26)19-10-9-17(13-16-7-5-4-6-8-16)20(15-19)21-14-18(24(2)3)11-12-23-21;1-18(2)19(3,4)26-20(25-18)16-13-15(27(23,24)21-5)11-12-17(16)22-14-9-7-6-8-10-14;1-10(2)6-3-4-9-7(8)5-6;1-8-5-2-3-9-6(7)4-5;6-5-3-4(7)1-2-8-5/h9-12,14-16,22H,4-8,13H2,1-3H3;11-14,21-22H,6-10H2,1-5H3;3-5H,1-2H3;2-4H,1H3,(H,8,9);1-3H,(H2,7,8)
InChIKeySQGYGIJWOWNIJB-UHFFFAOYSA-N
XLogP11.71
TPSA218.92 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.01
LogP ≤ 511.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-bromo-6-ethylpyridine;6-bromo-N-methylpyridin-2-amine;6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[6-(methylamino)-2-pyridinyl]benzenesulfonamide;methylboronic acid
CID 157704803
bis(6-bromo-N,N-dimethylpyridin-2-amine);6-bromopyridin-2-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[6-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide
CID 158746821
3-Bromo-5-(2-tert-butyl-4-pyridinyl)pyridine;4-bromo-3-methylbenzenesulfonyl chloride;1-bromo-2-methyl-4-(2-methylpropylsulfonyl)benzene;2-tert-butyl-4-[5-[2-methyl-4-(2-methylpropylsulfonyl)phenyl]-3-pyridinyl]pyridine;2-tert-butyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine;propan-2-amine
CID 158847827
4-bromo-3-methylbenzenesulfonamide;bis(N-(4-bromo-3-methylphenyl)sulfonyl-3-methylbutanamide);1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;2-isocyanatopropane;2-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine
CID 159408719
2-bromo-3-methylpyridine;4-(cyclohexylamino)-N-methyl-3-(3-methyl-2-pyridinyl)benzenesulfonamide;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 159667412
bis(2-bromo-N-methylpyridin-4-amine);2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-[4-(methylamino)-2-pyridinyl]benzenesulfonamide;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;methylboronic acid
CID 159762180
3-(4-amino-2-pyridinyl)-4-(cyclohexylmethyl)-N-methylbenzenesulfonamide;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 160488190
3-bromopyridine;4-(cyclohexylamino)-N-methyl-3-pyridin-3-ylbenzenesulfonamide;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 161225349
2-bromo-3-fluoropyridine;4-(cyclohexylamino)-3-(3-fluoro-2-pyridinyl)-N-methylbenzenesulfonamide;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 161564203
4-Bromo-3-methylbenzenesulfonamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-tert-butyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine
CID 162095827

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide (CID 160907051) is 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide is CN(C)c1ccnc(Br)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cc(N(C)C)ccn2)c1.CNS(=O)(=O)c1ccc(NC2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1.CNc1ccnc(Br)c1.Nc1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide?
The InChIKey is SQGYGIJWOWNIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S.C19H31BN2O4S.C7H9BrN2.C6H7BrN2.C5H5BrN2/c1-22-27(25,26)19-10-9-17(13-16-7-5-4-6-8-16)20(15-19)21-14-18(24(2)3)11-12-23-21;1-18(2)19(3,4)26-20(25-18)16-13-15(27(23,24)21-5)11-12-17(16)22-14-9-7-6-8-10-14;1-10(2)6-3-4-9-7(8)5-6;1-8-5-2-3-9-6(7)4-5;6-5-3-4(7)1-2-8-5/h9-12,14-16,22H,4-8,13H2,1-3H3;11-14,21-22H,6-10H2,1-5H3;3-5H,1-2H3;2-4H,1H3,(H,8,9);1-3H,(H2,7,8).
What are the key properties of 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide?
2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide has a molecular weight of 1343.01 g/mol, XLogP of 11.71, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dimethylpyridin-4-amine;2-bromo-N-methylpyridin-4-amine;2-bromopyridin-4-amine;4-(cyclohexylamino)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-[4-(dimethylamino)-2-pyridinyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 160907051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).