(2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone

C100H110BrF9N28O6 — CID 160824510

IUPAC(2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCN(c1cccc(C(=O)c2cc(Br)cnc2N)n1)C1CCCCC1.Nc1ncccc1C(=O)c1cccc(CNC2CCNCC2)n1.Nc1ncccc1C(=O)c1cccc(NC2CCCCC2)n1.Nc1ncccc1C(=O)c1nc(NC2CCNC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NC2CNC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCNC2)ccc1C(F)(F)F
InChIInChI=1S/C18H21BrN4O.C17H18F3N5O.C17H21N5O.C17H20N4O.C16H16F3N5O.C15H14F3N5O/c1-23(13-6-3-2-4-7-13)16-9-5-8-15(22-16)17(24)14-10-12(19)11-21-18(14)20;18-17(19,20)12-3-4-13(24-9-10-5-7-22-8-10)25-14(12)15(26)11-2-1-6-23-16(11)21;18-17-14(4-2-8-20-17)16(23)15-5-1-3-13(22-15)11-21-12-6-9-19-10-7-12;18-17-13(8-5-11-19-17)16(22)14-9-4-10-15(21-14)20-12-6-2-1-3-7-12;17-16(18,19)11-3-4-12(23-9-5-7-21-8-9)24-13(11)14(25)10-2-1-6-22-15(10)20;16-15(17,18)10-3-4-11(22-8-6-20-7-8)23-12(10)13(24)9-2-1-5-21-14(9)19/h5,8-11,13H,2-4,6-7H2,1H3,(H2,20,21);1-4,6,10,22H,5,7-9H2,(H2,21,23)(H,24,25);1-5,8,12,19,21H,6-7,9-11H2,(H2,18,20);4-5,8-12H,1-3,6-7H2,(H2,18,19)(H,20,21);1-4,6,9,21H,5,7-8H2,(H2,20,22)(H,23,24);1-5,8,20H,6-7H2,(H2,19,21)(H,22,23)
InChIKeySFZFADKOORFRED-UHFFFAOYSA-N
MW2051.06 g/mol
LogP14.09
Rot. Bonds26

About (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone

(2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 160824510) has the molecular formula C100H110BrF9N28O6 and a molecular weight of 2051.06 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID160824510
Molecular FormulaC100H110BrF9N28O6
Molecular Weight2051.06 g/mol
Exact Mass2048.82
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCN(c1cccc(C(=O)c2cc(Br)cnc2N)n1)C1CCCCC1.Nc1ncccc1C(=O)c1cccc(CNC2CCNCC2)n1.Nc1ncccc1C(=O)c1cccc(NC2CCCCC2)n1.Nc1ncccc1C(=O)c1nc(NC2CCNC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NC2CNC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCNC2)ccc1C(F)(F)F
InChIInChI=1S/C18H21BrN4O.C17H18F3N5O.C17H21N5O.C17H20N4O.C16H16F3N5O.C15H14F3N5O/c1-23(13-6-3-2-4-7-13)16-9-5-8-15(22-16)17(24)14-10-12(19)11-21-18(14)20;18-17(19,20)12-3-4-13(24-9-10-5-7-22-8-10)25-14(12)15(26)11-2-1-6-23-16(11)21;18-17-14(4-2-8-20-17)16(23)15-5-1-3-13(22-15)11-21-12-6-9-19-10-7-12;18-17-13(8-5-11-19-17)16(22)14-9-4-10-15(21-14)20-12-6-2-1-3-7-12;17-16(18,19)11-3-4-12(23-9-5-7-21-8-9)24-13(11)14(25)10-2-1-6-22-15(10)20;16-15(17,18)10-3-4-11(22-8-6-20-7-8)23-12(10)13(24)9-2-1-5-21-14(9)19/h5,8-11,13H,2-4,6-7H2,1H3,(H2,20,21);1-4,6,10,22H,5,7-9H2,(H2,21,23)(H,24,25);1-5,8,12,19,21H,6-7,9-11H2,(H2,18,20);4-5,8-12H,1-3,6-7H2,(H2,18,19)(H,20,21);1-4,6,9,21H,5,7-8H2,(H2,20,22)(H,23,24);1-5,8,20H,6-7H2,(H2,19,21)(H,22,23)
InChIKeySFZFADKOORFRED-UHFFFAOYSA-N
XLogP14.09
TPSA524.73 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002051.06
LogP ≤ 514.09
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 160824510) is (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone is CN(c1cccc(C(=O)c2cc(Br)cnc2N)n1)C1CCCCC1.Nc1ncccc1C(=O)c1cccc(CNC2CCNCC2)n1.Nc1ncccc1C(=O)c1cccc(NC2CCCCC2)n1.Nc1ncccc1C(=O)c1nc(NC2CCNC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NC2CNC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCNC2)ccc1C(F)(F)F.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is SFZFADKOORFRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O.C17H18F3N5O.C17H21N5O.C17H20N4O.C16H16F3N5O.C15H14F3N5O/c1-23(13-6-3-2-4-7-13)16-9-5-8-15(22-16)17(24)14-10-12(19)11-21-18(14)20;18-17(19,20)12-3-4-13(24-9-10-5-7-22-8-10)25-14(12)15(26)11-2-1-6-23-16(11)21;18-17-14(4-2-8-20-17)16(23)15-5-1-3-13(22-15)11-21-12-6-9-19-10-7-12;18-17-13(8-5-11-19-17)16(22)14-9-4-10-15(21-14)20-12-6-2-1-3-7-12;17-16(18,19)11-3-4-12(23-9-5-7-21-8-9)24-13(11)14(25)10-2-1-6-22-15(10)20;16-15(17,18)10-3-4-11(22-8-6-20-7-8)23-12(10)13(24)9-2-1-5-21-14(9)19/h5,8-11,13H,2-4,6-7H2,1H3,(H2,20,21);1-4,6,10,22H,5,7-9H2,(H2,21,23)(H,24,25);1-5,8,12,19,21H,6-7,9-11H2,(H2,18,20);4-5,8-12H,1-3,6-7H2,(H2,18,19)(H,20,21);1-4,6,9,21H,5,7-8H2,(H2,20,22)(H,23,24);1-5,8,20H,6-7H2,(H2,19,21)(H,22,23).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone?
(2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 2051.06 g/mol, XLogP of 14.09, 26 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[6-[cyclohexyl(methyl)amino]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(azetidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(cyclohexylamino)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 160824510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).