(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone

C80H84Br4N18O5 — CID 157376650

IUPAC(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone
SMILESCCN(Cc1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1.CN(C)CCN(Cc1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1.CN(CC(O)c1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1.Nc1ncc(Br)cc1C(=O)c1cccc(NCCN2CCCCC2)n1
InChIInChI=1S/C22H24BrN5O.C20H19BrN4O2.C20H19BrN4O.C18H22BrN5O/c1-27(2)11-12-28(15-16-7-4-3-5-8-16)20-10-6-9-19(26-20)21(29)18-13-17(23)14-25-22(18)24;1-25(12-17(26)13-6-3-2-4-7-13)18-9-5-8-16(24-18)19(27)15-10-14(21)11-23-20(15)22;1-2-25(13-14-7-4-3-5-8-14)18-10-6-9-17(24-18)19(26)16-11-15(21)12-23-20(16)22;19-13-11-14(18(20)22-12-13)17(25)15-5-4-6-16(23-15)21-7-10-24-8-2-1-3-9-24/h3-10,13-14H,11-12,15H2,1-2H3,(H2,24,25);2-11,17,26H,12H2,1H3,(H2,22,23);3-12H,2,13H2,1H3,(H2,22,23);4-6,11-12H,1-3,7-10H2,(H2,20,22)(H,21,23)
InChIKeyBKKBNWZXKUDKPB-UHFFFAOYSA-N
MW1697.29 g/mol
LogP13.87
Rot. Bonds26

About (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone

(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone (PubChem CID 157376650) has the molecular formula C80H84Br4N18O5 and a molecular weight of 1697.29 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone
PubChem CID157376650
Molecular FormulaC80H84Br4N18O5
Molecular Weight1697.29 g/mol
Exact Mass1692.36
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone
SMILESCCN(Cc1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1.CN(C)CCN(Cc1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1.CN(CC(O)c1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1.Nc1ncc(Br)cc1C(=O)c1cccc(NCCN2CCCCC2)n1
InChIInChI=1S/C22H24BrN5O.C20H19BrN4O2.C20H19BrN4O.C18H22BrN5O/c1-27(2)11-12-28(15-16-7-4-3-5-8-16)20-10-6-9-19(26-20)21(29)18-13-17(23)14-25-22(18)24;1-25(12-17(26)13-6-3-2-4-7-13)18-9-5-8-16(24-18)19(27)15-10-14(21)11-23-20(15)22;1-2-25(13-14-7-4-3-5-8-14)18-10-6-9-17(24-18)19(26)16-11-15(21)12-23-20(16)22;19-13-11-14(18(20)22-12-13)17(25)15-5-4-6-16(23-15)21-7-10-24-8-2-1-3-9-24/h3-10,13-14H,11-12,15H2,1-2H3,(H2,24,25);2-11,17,26H,12H2,1H3,(H2,22,23);3-12H,2,13H2,1H3,(H2,22,23);4-6,11-12H,1-3,7-10H2,(H2,20,22)(H,21,23)
InChIKeyBKKBNWZXKUDKPB-UHFFFAOYSA-N
XLogP13.87
TPSA323.94 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001697.29
LogP ≤ 513.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157170454
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157899148
(2-Amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157968100
(2-Amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 158115652
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-aminophenyl)-[6-[(3R,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-aminophenyl)-[6-[(3S,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 158248112
(2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 159555797
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 159770323
(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 160979000
(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 161656930
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 161725888
[6-[(4-Aminocyclohexyl)methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 161811284
(2-Amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 161900418

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone (CID 157376650) is (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone is CCN(Cc1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1.CN(C)CCN(Cc1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1.CN(CC(O)c1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1.Nc1ncc(Br)cc1C(=O)c1cccc(NCCN2CCCCC2)n1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone?
The InChIKey is BKKBNWZXKUDKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN5O.C20H19BrN4O2.C20H19BrN4O.C18H22BrN5O/c1-27(2)11-12-28(15-16-7-4-3-5-8-16)20-10-6-9-19(26-20)21(29)18-13-17(23)14-25-22(18)24;1-25(12-17(26)13-6-3-2-4-7-13)18-9-5-8-16(24-18)19(27)15-10-14(21)11-23-20(15)22;1-2-25(13-14-7-4-3-5-8-14)18-10-6-9-17(24-18)19(26)16-11-15(21)12-23-20(16)22;19-13-11-14(18(20)22-12-13)17(25)15-5-4-6-16(23-15)21-7-10-24-8-2-1-3-9-24/h3-10,13-14H,11-12,15H2,1-2H3,(H2,24,25);2-11,17,26H,12H2,1H3,(H2,22,23);3-12H,2,13H2,1H3,(H2,22,23);4-6,11-12H,1-3,7-10H2,(H2,20,22)(H,21,23).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone?
(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone has a molecular weight of 1697.29 g/mol, XLogP of 13.87, 26 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[6-[benzyl-[2-(dimethylamino)ethyl]amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[benzyl(ethyl)amino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[(2-hydroxy-2-phenylethyl)-methylamino]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(2-piperidin-1-ylethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 157376650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).