(2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone

C79H89Br3N18O4 — CID 159538343

IUPAC(2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone
SMILESC=Cc1cnc(N)c(C(=O)c2cccc(C3CCC(N)CC3)n2)c1.Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCCC2)n1.Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCCC2CN2CCCCC2)n1.Nc1ncc(Br)cc1C(=O)c1cccc(N2CCC[C@@H]2CNc2ccccc2)n1
InChIInChI=1S/C22H28BrN5O.C22H22BrN5O.C19H22N4O.C16H17BrN4O/c23-16-13-18(22(24)25-14-16)21(29)19-8-6-9-20(26-19)28-12-5-2-7-17(28)15-27-10-3-1-4-11-27;23-15-12-18(22(24)26-13-15)21(29)19-9-4-10-20(27-19)28-11-5-8-17(28)14-25-16-6-2-1-3-7-16;1-2-12-10-15(19(21)22-11-12)18(24)17-5-3-4-16(23-17)13-6-8-14(20)9-7-13;17-11-9-12(16(18)19-10-11)15(22)13-5-4-6-14(20-13)21-7-2-1-3-8-21/h6,8-9,13-14,17H,1-5,7,10-12,15H2,(H2,24,25);1-4,6-7,9-10,12-13,17,25H,5,8,11,14H2,(H2,24,26);2-5,10-11,13-14H,1,6-9,20H2,(H2,21,22);4-6,9-10H,1-3,7-8H2,(H2,18,19)/t;17-;;/m.1../s1
InChIKeyMDWNJDATKYHTQE-QSPMGRJTSA-N
MW1594.41 g/mol
LogP13.99
Rot. Bonds18

About (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone

(2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone (PubChem CID 159538343) has the molecular formula C79H89Br3N18O4 and a molecular weight of 1594.41 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone
PubChem CID159538343
Molecular FormulaC79H89Br3N18O4
Molecular Weight1594.41 g/mol
Exact Mass1590.49
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone
SMILESC=Cc1cnc(N)c(C(=O)c2cccc(C3CCC(N)CC3)n2)c1.Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCCC2)n1.Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCCC2CN2CCCCC2)n1.Nc1ncc(Br)cc1C(=O)c1cccc(N2CCC[C@@H]2CNc2ccccc2)n1
InChIInChI=1S/C22H28BrN5O.C22H22BrN5O.C19H22N4O.C16H17BrN4O/c23-16-13-18(22(24)25-14-16)21(29)19-8-6-9-20(26-19)28-12-5-2-7-17(28)15-27-10-3-1-4-11-27;23-15-12-18(22(24)26-13-15)21(29)19-9-4-10-20(27-19)28-11-5-8-17(28)14-25-16-6-2-1-3-7-16;1-2-12-10-15(19(21)22-11-12)18(24)17-5-3-4-16(23-17)13-6-8-14(20)9-7-13;17-11-9-12(16(18)19-10-11)15(22)13-5-4-6-14(20-13)21-7-2-1-3-8-21/h6,8-9,13-14,17H,1-5,7,10-12,15H2,(H2,24,25);1-4,6-7,9-10,12-13,17,25H,5,8,11,14H2,(H2,24,26);2-5,10-11,13-14H,1,6-9,20H2,(H2,21,22);4-6,9-10H,1-3,7-8H2,(H2,18,19)/t;17-;;/m.1../s1
InChIKeyMDWNJDATKYHTQE-QSPMGRJTSA-N
XLogP13.99
TPSA326.49 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001594.41
LogP ≤ 513.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone (CID 159538343) is (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone is C=Cc1cnc(N)c(C(=O)c2cccc(C3CCC(N)CC3)n2)c1.Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCCC2)n1.Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCCC2CN2CCCCC2)n1.Nc1ncc(Br)cc1C(=O)c1cccc(N2CCC[C@@H]2CNc2ccccc2)n1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone?
The InChIKey is MDWNJDATKYHTQE-QSPMGRJTSA-N. The full InChI is InChI=1S/C22H28BrN5O.C22H22BrN5O.C19H22N4O.C16H17BrN4O/c23-16-13-18(22(24)25-14-16)21(29)19-8-6-9-20(26-19)28-12-5-2-7-17(28)15-27-10-3-1-4-11-27;23-15-12-18(22(24)26-13-15)21(29)19-9-4-10-20(27-19)28-11-5-8-17(28)14-25-16-6-2-1-3-7-16;1-2-12-10-15(19(21)22-11-12)18(24)17-5-3-4-16(23-17)13-6-8-14(20)9-7-13;17-11-9-12(16(18)19-10-11)15(22)13-5-4-6-14(20-13)21-7-2-1-3-8-21/h6,8-9,13-14,17H,1-5,7,10-12,15H2,(H2,24,25);1-4,6-7,9-10,12-13,17,25H,5,8,11,14H2,(H2,24,26);2-5,10-11,13-14H,1,6-9,20H2,(H2,21,22);4-6,9-10H,1-3,7-8H2,(H2,18,19)/t;17-;;/m.1../s1.
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone?
(2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone has a molecular weight of 1594.41 g/mol, XLogP of 13.99, 18 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[6-[(2R)-2-(anilinomethyl)pyrrolidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-(6-piperidin-1-yl-2-pyridinyl)methanone;[6-(4-aminocyclohexyl)-2-pyridinyl]-(2-amino-5-ethenyl-3-pyridinyl)methanone is sourced from PubChem (CID 159538343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).