C153H154N32O16S — CID 159638312
N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-cyclopropylpyridine-4-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-cyclopropylpyridine-4-carboxamide (PubChem CID 159638312) has the molecular formula C153H154N32O16S and a molecular weight of 2729.19 g/mol. Its IUPAC name is N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-cyclopropylpyridine-4-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-cyclopropylpyridine-4-carboxamide.
| Compound Name | N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-cyclopropylpyridine-4-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-cyclopropylpyridine-4-carboxamide |
|---|---|
| PubChem CID | 159638312 |
| Molecular Formula | C153H154N32O16S |
| Molecular Weight | 2729.19 g/mol |
| Exact Mass | 2727.19 |
| IUPAC Name | N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-cyclopropylpyridine-4-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-cyclopropylpyridine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(C2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1 |
| InChI | InChI=1S/C26H26N6O.2C26H27N5O3.C26H25N5O2.C25H26N6O3.C24H23N5O4S/c1-17-2-5-22(31-26(33)19-6-7-29-24(13-19)18-3-4-18)14-23(17)21-12-20(15-27)25(30-16-21)32-10-8-28-9-11-32;1-16-22(20-10-19(13-27)24(30-14-20)17-5-8-34-9-6-17)12-21(15-29-16)31-25(32)18-4-7-28-23(11-18)26(2,3)33;1-17-4-5-21(30-25(32)18-6-7-28-23(13-18)26(2,3)33)14-22(17)20-12-19(15-27)24(29-16-20)31-8-10-34-11-9-31;1-17-2-5-22(30-26(32)19-6-7-28-24(13-19)18-3-4-18)14-23(17)21-12-20(15-27)25(29-16-21)31-8-10-33-11-9-31;1-16-21(19-10-18(13-26)23(29-14-19)31-6-8-34-9-7-31)12-20(15-28-16)30-24(32)17-4-5-27-22(11-17)25(2,3)33;1-16-3-4-20(28-24(30)17-5-6-26-22(12-17)34(2,31)32)13-21(16)19-11-18(14-25)23(27-15-19)29-7-9-33-10-8-29/h2,5-7,12-14,16,18,28H,3-4,8-11H2,1H3,(H,31,33);4,7,10-12,14-15,17,33H,5-6,8-9H2,1-3H3,(H,31,32);4-7,12-14,16,33H,8-11H2,1-3H3,(H,30,32);2,5-7,12-14,16,18H,3-4,8-11H2,1H3,(H,30,32);4-5,10-12,14-15,33H,6-9H2,1-3H3,(H,30,32);3-6,11-13,15H,7-10H2,1-2H3,(H,28,30) |
| InChIKey | MQAFGDTVCHTLLC-UHFFFAOYSA-N |
| XLogP | 21.74 |
| TPSA | 667.01 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 202 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2729.19 |
| LogP ≤ 5 | 21.74 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 42 |