C155H169N33O12 — CID 158044380
N-[(4-ethyl-2-pyridinyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[[3-(2-methylphenyl)phenyl]methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (PubChem CID 158044380) has the molecular formula C155H169N33O12 and a molecular weight of 2686.28 g/mol. Its IUPAC name is N-[(4-ethyl-2-pyridinyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[[3-(2-methylphenyl)phenyl]methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.
| Compound Name | N-[(4-ethyl-2-pyridinyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[[3-(2-methylphenyl)phenyl]methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide |
|---|---|
| PubChem CID | 158044380 |
| Molecular Formula | C155H169N33O12 |
| Molecular Weight | 2686.28 g/mol |
| Exact Mass | 2684.36 |
| IUPAC Name | N-[(4-ethyl-2-pyridinyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[[3-(2-methylphenyl)phenyl]methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[2-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide |
| SMILES | CCc1ccnc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c1.CN1CCN(c2ccnc(CNC(=O)c3ccc4cnc(NC5CCOCC5)cc4n3)c2)CC1.Cc1ccccc1-c1cccc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c1.Cc1ccncc1-c1ccc(CCNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)cc1.Cn1cc(-c2ccc(CCNC(=O)c3ccc4cnc(NC5CCOCC5)cc4n3)cc2)cn1.Cn1cc(-c2cccc(CCNC(=O)c3ccc4cnc(NC5CCOCC5)cc4n3)c2)cn1 |
| InChI | InChI=1S/C28H29N5O2.C28H28N4O2.2C26H28N6O2.C25H31N7O2.C22H25N5O2/c1-19-8-12-29-18-24(19)21-4-2-20(3-5-21)9-13-30-28(34)25-7-6-22-17-31-27(16-26(22)33-25)32-23-10-14-35-15-11-23;1-19-5-2-3-8-24(19)21-7-4-6-20(15-21)17-30-28(33)25-10-9-22-18-29-27(16-26(22)32-25)31-23-11-13-34-14-12-23;1-32-17-21(16-29-32)19-4-2-18(3-5-19)8-11-27-26(33)23-7-6-20-15-28-25(14-24(20)31-23)30-22-9-12-34-13-10-22;1-32-17-21(16-29-32)19-4-2-3-18(13-19)7-10-27-26(33)23-6-5-20-15-28-25(14-24(20)31-23)30-22-8-11-34-12-9-22;1-31-8-10-32(11-9-31)21-4-7-26-20(14-21)17-28-25(33)22-3-2-18-16-27-24(15-23(18)30-22)29-19-5-12-34-13-6-19;1-2-15-5-8-23-18(11-15)14-25-22(28)19-4-3-16-13-24-21(12-20(16)27-19)26-17-6-9-29-10-7-17/h2-8,12,16-18,23H,9-11,13-15H2,1H3,(H,30,34)(H,31,32);2-10,15-16,18,23H,11-14,17H2,1H3,(H,29,31)(H,30,33);2-7,14-17,22H,8-13H2,1H3,(H,27,33)(H,28,30);2-6,13-17,22H,7-12H2,1H3,(H,27,33)(H,28,30);2-4,7,14-16,19H,5-6,8-13,17H2,1H3,(H,27,29)(H,28,33);3-5,8,11-13,17H,2,6-7,9-10,14H2,1H3,(H,24,26)(H,25,28) |
| InChIKey | FISOKDZAUSMFCO-UHFFFAOYSA-N |
| XLogP | 22.28 |
| TPSA | 537.63 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2686.28 |
| LogP ≤ 5 | 22.28 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 39 |