5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

C40H49BBrCl3N8O3 — CID 158704780

IUPAC5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
SMILESCN(C)c1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.CN(C)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl.CN(C)c1cc(Br)cnc1Cl
InChIInChI=1S/C20H21ClN4O.C13H20BClN2O2.C7H8BrClN2/c1-24(2)19-12-15(13-23-20(19)21)14-3-4-17-16(11-14)18(5-6-22-17)25-7-9-26-10-8-25;1-12(2)13(3,4)19-14(18-12)9-7-10(17(5)6)11(15)16-8-9;1-11(2)6-3-5(8)4-10-7(6)9/h3-6,11-13H,7-10H2,1-2H3;7-8H,1-6H3;3-4H,1-2H3
InChIKeyIHZCEOGPYTUMNI-UHFFFAOYSA-N
MW886.96 g/mol
LogP8.52
Rot. Bonds6

About 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine (PubChem CID 158704780) has the molecular formula C40H49BBrCl3N8O3 and a molecular weight of 886.96 g/mol. Its IUPAC name is 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
PubChem CID158704780
Molecular FormulaC40H49BBrCl3N8O3
Molecular Weight886.96 g/mol
Exact Mass884.23
IUPAC Name5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
SMILESCN(C)c1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.CN(C)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl.CN(C)c1cc(Br)cnc1Cl
InChIInChI=1S/C20H21ClN4O.C13H20BClN2O2.C7H8BrClN2/c1-24(2)19-12-15(13-23-20(19)21)14-3-4-17-16(11-14)18(5-6-22-17)25-7-9-26-10-8-25;1-12(2)13(3,4)19-14(18-12)9-7-10(17(5)6)11(15)16-8-9;1-11(2)6-3-5(8)4-10-7(6)9/h3-6,11-13H,7-10H2,1-2H3;7-8H,1-6H3;3-4H,1-2H3
InChIKeyIHZCEOGPYTUMNI-UHFFFAOYSA-N
XLogP8.52
TPSA92.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500886.96
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine with MolForge

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Related Compounds

2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
CID 44610160
5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine
CID 157072568
8-bromo-4-chloro-3-iodoquinoline;(2R,6S)-4-[4-(8-bromo-4-chloroquinolin-3-yl)phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(4-chloro-8-pyridin-2-ylquinolin-3-yl)phenyl]-2,6-dimethylmorpholine;cyclopropylboronic acid;(2R,6S)-4-[4-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)phenyl]-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;methane;tributyl(pyridin-2-yl)stannane
CID 157781323
4-chloro-3-methyl-2,8-dipyridin-2-ylquinoline;3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2,8-dipyridin-2-ylquinolin-4-amine
CID 158040061
7-Bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine
CID 158548507
5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride
CID 158824521
4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 159393084
5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 160837476
6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-4-[2-methoxyethyl(methyl)amino]quinoline;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-amine
CID 161495768
5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)morpholine-4-sulfonamide;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide
CID 161621127

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine (CID 158704780) is 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine is CN(C)c1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.CN(C)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl.CN(C)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
The InChIKey is IHZCEOGPYTUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O.C13H20BClN2O2.C7H8BrClN2/c1-24(2)19-12-15(13-23-20(19)21)14-3-4-17-16(11-14)18(5-6-22-17)25-7-9-26-10-8-25;1-12(2)13(3,4)19-14(18-12)9-7-10(17(5)6)11(15)16-8-9;1-11(2)6-3-5(8)4-10-7(6)9/h3-6,11-13H,7-10H2,1-2H3;7-8H,1-6H3;3-4H,1-2H3.
What are the key properties of 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine has a molecular weight of 886.96 g/mol, XLogP of 8.52, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine is sourced from PubChem (CID 158704780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).