N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
C97H79F3N16O12S — CID 159469047
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.CS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.Cc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCC(F)(F)F)nc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H19F3N4O3.C24H20N4O4S.C24H20N4O3.C24H20N4O2/c26-25(27,28)14-35-21-9-6-16(12-30-21)15-3-1-4-18(11-15)32-13-20(24(34)31-17-7-8-17)22(33)19-5-2-10-29-23(19)32;1-33(31,32)21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-31-21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-15-7-8-17(13-26-15)16-4-2-5-19(12-16)28-14-21(24(30)27-18-9-10-18)22(29)20-6-3-11-25-23(20)28/h1-6,9-13,17H,7-8,14H2,(H,31,34);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-8,11-14,18H,9-10H2,1H3,(H,27,30)
InChIKeyLVOGFEZZOGSQMN-UHFFFAOYSA-N
MW1749.86 g/mol
LogP14.02
Rot. Bonds20
About N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 159469047) has the molecular formula C97H79F3N16O12S and a molecular weight of 1749.86 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide |
|---|---|
| PubChem CID | 159469047 |
| Molecular Formula | C97H79F3N16O12S |
| Molecular Weight | 1749.86 g/mol |
| Exact Mass | 1748.57 |
| IUPAC Name | N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide |
| SMILES | COc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.CS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.Cc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCC(F)(F)F)nc3)c2)c2ncccc2c1=O |
| InChI | InChI=1S/C25H19F3N4O3.C24H20N4O4S.C24H20N4O3.C24H20N4O2/c26-25(27,28)14-35-21-9-6-16(12-30-21)15-3-1-4-18(11-15)32-13-20(24(34)31-17-7-8-17)22(33)19-5-2-10-29-23(19)32;1-33(31,32)21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-31-21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-15-7-8-17(13-26-15)16-4-2-5-19(12-16)28-14-21(24(30)27-18-9-10-18)22(29)20-6-3-11-25-23(20)28/h1-6,9-13,17H,7-8,14H2,(H,31,34);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-8,11-14,18H,9-10H2,1H3,(H,27,30) |
| InChIKey | LVOGFEZZOGSQMN-UHFFFAOYSA-N |
| XLogP | 14.02 |
| TPSA | 360.12 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 129 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1749.86 |
| LogP ≤ 5 | 14.02 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide (CID 159469047) is N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide is COc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.CS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.Cc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCC(F)(F)F)nc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is LVOGFEZZOGSQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O3.C24H20N4O4S.C24H20N4O3.C24H20N4O2/c26-25(27,28)14-35-21-9-6-16(12-30-21)15-3-1-4-18(11-15)32-13-20(24(34)31-17-7-8-17)22(33)19-5-2-10-29-23(19)32;1-33(31,32)21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-31-21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-15-7-8-17(13-26-15)16-4-2-5-19(12-16)28-14-21(24(30)27-18-9-10-18)22(29)20-6-3-11-25-23(20)28/h1-6,9-13,17H,7-8,14H2,(H,31,34);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-8,11-14,18H,9-10H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 1749.86 g/mol, XLogP of 14.02, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 159469047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159469047 — identifiers, structure, computed properties (public domain)
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