About (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide
(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide (PubChem CID 160560251) has the molecular formula C125H160N24O24
and a molecular weight of 2382.80 g/mol. Its IUPAC name is (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide.
Frequently Asked Questions
What is the IUPAC name of (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide (CID 160560251) is (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide is CCCN(CCC)c1ccc2cc(/C=C(\C#N)C(=O)NCCOCc3cn(C[C@H]4O[C@H](OC)[C@H](O)[C@@H](C)[C@@H]4O)nn3)ccc2c1.CCN(CC)c1ccc2cc(/C=C(\C#N)C(=O)NCCOCc3cn(C[C@H]4O[C@H](OC)[C@H](O)[C@@H](C)[C@@H]4O)nn3)ccc2c1.CO[C@H]1O[C@H](Cn2cc(COCCNC(=O)/C(C#N)=C/c3ccc4cc(N(C)C)ccc4c3)nn2)[C@@H](O)[C@H](C)[C@H]1O.CO[C@H]1O[C@H](Cn2cc(COCCNC(=O)/C(C#N)=C/c3ccc4cc(N5CCCCC5)ccc4c3)nn2)[C@@H](O)[C@H](C)[C@H]1O.
What is the InChIKey of (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide?
The InChIKey is QZFCDVMEPFERHF-WLYRBCAMSA-N. The full InChI is InChI=1S/C33H44N6O6.C32H40N6O6.C31H40N6O6.C29H36N6O6/c1-5-12-38(13-6-2)28-10-9-24-15-23(7-8-25(24)17-28)16-26(18-34)32(42)35-11-14-44-21-27-19-39(37-36-27)20-29-30(40)22(3)31(41)33(43-4)45-29;1-21-29(39)28(44-32(42-2)30(21)40)19-38-18-26(35-36-38)20-43-13-10-34-31(41)25(17-33)15-22-6-7-24-16-27(9-8-23(24)14-22)37-11-4-3-5-12-37;1-5-36(6-2)26-10-9-22-13-21(7-8-23(22)15-26)14-24(16-32)30(40)33-11-12-42-19-25-17-37(35-34-25)18-27-28(38)20(3)29(39)31(41-4)43-27;1-18-26(36)25(41-29(39-4)27(18)37)16-35-15-23(32-33-35)17-40-10-9-31-28(38)22(14-30)12-19-5-6-21-13-24(34(2)3)8-7-20(21)11-19/h7-10,15-17,19,22,29-31,33,40-41H,5-6,11-14,20-21H2,1-4H3,(H,35,42);6-9,14-16,18,21,28-30,32,39-40H,3-5,10-13,19-20H2,1-2H3,(H,34,41);7-10,13-15,17,20,27-29,31,38-39H,5-6,11-12,18-19H2,1-4H3,(H,33,40);5-8,11-13,15,18,25-27,29,36-37H,9-10,16-17H2,1-4H3,(H,31,38)/b26-16+;25-15+;24-14+;22-12+/t22-,29+,30-,31+,33-;21-,28+,29-,30+,32-;20-,27+,28-,29+,31-;18-,25+,26-,27+,29-/m0000/s1.
What are the key properties of (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide?
(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide has a molecular weight of 2382.80 g/mol, XLogP of 9.13, 50 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dimethylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-[6-(dipropylamino)naphthalen-2-yl]prop-2-enamide;(E)-2-cyano-N-[2-[[1-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]triazol-4-yl]methoxy]ethyl]-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 160560251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).