C146H128N30O10 — CID 158746042
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-6-(prop-2-enoylamino)naphthalene-2-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(prop-2-enoylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-1,3-dihydroisoindole-5-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 158746042) has the molecular formula C146H128N30O10 and a molecular weight of 2462.83 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-6-(prop-2-enoylamino)naphthalene-2-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(prop-2-enoylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-1,3-dihydroisoindole-5-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide.
| Compound Name | N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-6-(prop-2-enoylamino)naphthalene-2-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(prop-2-enoylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-1,3-dihydroisoindole-5-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide |
|---|---|
| PubChem CID | 158746042 |
| Molecular Formula | C146H128N30O10 |
| Molecular Weight | 2462.83 g/mol |
| Exact Mass | 2461.04 |
| IUPAC Name | N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-6-(prop-2-enoylamino)naphthalene-2-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(prop-2-enoylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-1,3-dihydroisoindole-5-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide |
| SMILES | C=CC(=O)N1CCCc2cc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc21.C=CC(=O)N1CCc2cc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc2C1.C=CC(=O)N1Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2C1.C=CC(=O)NC1CCCc2cc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc21.C=CC(=O)Nc1ccc2cc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc2c1 |
| InChI | InChI=1S/C30H28N6O2.C30H24N6O2.2C29H26N6O2.C28H24N6O2/c1-3-28(37)34-26-8-4-6-20-16-21(10-12-24(20)26)29(38)33-23-11-9-19(2)27(17-23)36-30-32-15-13-25(35-30)22-7-5-14-31-18-22;1-3-28(37)33-24-11-9-20-15-22(8-7-21(20)16-24)29(38)34-25-10-6-19(2)27(17-25)36-30-32-14-12-26(35-30)23-5-4-13-31-18-23;1-3-27(36)35-15-5-7-20-16-21(9-11-26(20)35)28(37)32-23-10-8-19(2)25(17-23)34-29-31-14-12-24(33-29)22-6-4-13-30-18-22;1-3-27(36)35-14-11-20-15-21(7-8-23(20)18-35)28(37)32-24-9-6-19(2)26(16-24)34-29-31-13-10-25(33-29)22-5-4-12-30-17-22;1-3-26(35)34-16-21-8-7-19(13-22(21)17-34)27(36)31-23-9-6-18(2)25(14-23)33-28-30-12-10-24(32-28)20-5-4-11-29-15-20/h3,5,7,9-18,26H,1,4,6,8H2,2H3,(H,33,38)(H,34,37)(H,32,35,36);3-18H,1H2,2H3,(H,33,37)(H,34,38)(H,32,35,36);3-4,6,8-14,16-18H,1,5,7,15H2,2H3,(H,32,37)(H,31,33,34);3-10,12-13,15-17H,1,11,14,18H2,2H3,(H,32,37)(H,31,33,34);3-15H,1,16-17H2,2H3,(H,31,36)(H,30,32,33) |
| InChIKey | IMWZDRSLNSFIBO-UHFFFAOYSA-N |
| XLogP | 26.74 |
| TPSA | 518.13 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2462.83 |
| LogP ≤ 5 | 26.74 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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