4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane
C93H100ClF5N20O4 — CID 158186055
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane
SMILESC.C.C.CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1cc(C(C)(F)F)ncn1.Cc1nccc(N2CCCc3nc(C(C)NC(=O)c4ccc(Cl)cc4)ccc32)n1.Cc1nccc(N2CCCc3nc(C(C)NC(=O)c4ccc(F)cc4)ccc32)n1.Cc1nccc(N2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1
InChIInChI=1S/C23H22F3N5O.C23H22FN5O.C22H22ClN5O.C22H22FN5O.3CH4/c1-14(29-22(32)15-5-7-16(24)8-6-15)17-9-10-19-18(30-17)4-3-11-31(19)21-12-20(23(2,25)26)27-13-28-21;1-15-25-13-10-21(26-15)29-14-2-3-18-19(29)8-9-20(27-18)23(11-12-23)28-22(30)16-4-6-17(24)7-5-16;2*1-14(25-22(29)16-5-7-17(23)8-6-16)18-9-10-20-19(27-18)4-3-13-28(20)21-11-12-24-15(2)26-21;;;/h5-10,12-14H,3-4,11H2,1-2H3,(H,29,32);4-10,13H,2-3,11-12,14H2,1H3,(H,28,30);2*5-12,14H,3-4,13H2,1-2H3,(H,25,29);3*1H4
InChIKeyFZDNCBUZUKQZPC-UHFFFAOYSA-N
MW1692.40 g/mol
LogP18.73
Rot. Bonds17
About 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane
4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane (PubChem CID 158186055) has the molecular formula C93H100ClF5N20O4 and a molecular weight of 1692.40 g/mol. Its IUPAC name is 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane.
Molecular Properties
| Compound Name | 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane |
|---|---|
| PubChem CID | 158186055 |
| Molecular Formula | C93H100ClF5N20O4 |
| Molecular Weight | 1692.40 g/mol |
| Exact Mass | 1690.78 |
| IUPAC Name | 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane |
| SMILES | C.C.C.CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1cc(C(C)(F)F)ncn1.Cc1nccc(N2CCCc3nc(C(C)NC(=O)c4ccc(Cl)cc4)ccc32)n1.Cc1nccc(N2CCCc3nc(C(C)NC(=O)c4ccc(F)cc4)ccc32)n1.Cc1nccc(N2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1 |
| InChI | InChI=1S/C23H22F3N5O.C23H22FN5O.C22H22ClN5O.C22H22FN5O.3CH4/c1-14(29-22(32)15-5-7-16(24)8-6-15)17-9-10-19-18(30-17)4-3-11-31(19)21-12-20(23(2,25)26)27-13-28-21;1-15-25-13-10-21(26-15)29-14-2-3-18-19(29)8-9-20(27-18)23(11-12-23)28-22(30)16-4-6-17(24)7-5-16;2*1-14(25-22(29)16-5-7-17(23)8-6-16)18-9-10-20-19(27-18)4-3-13-28(20)21-11-12-24-15(2)26-21;;;/h5-10,12-14H,3-4,11H2,1-2H3,(H,29,32);4-10,13H,2-3,11-12,14H2,1H3,(H,28,30);2*5-12,14H,3-4,13H2,1-2H3,(H,25,29);3*1H4 |
| InChIKey | FZDNCBUZUKQZPC-UHFFFAOYSA-N |
| XLogP | 18.73 |
| TPSA | 284.04 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 123 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1692.40 |
| LogP ≤ 5 | 18.73 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane?
The IUPAC name of 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane (CID 158186055) is 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane.
What is the SMILES notation for 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane?
The canonical SMILES for 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane is C.C.C.CC(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1cc(C(C)(F)F)ncn1.Cc1nccc(N2CCCc3nc(C(C)NC(=O)c4ccc(Cl)cc4)ccc32)n1.Cc1nccc(N2CCCc3nc(C(C)NC(=O)c4ccc(F)cc4)ccc32)n1.Cc1nccc(N2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1.
What is the InChIKey of 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane?
The InChIKey is FZDNCBUZUKQZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O.C23H22FN5O.C22H22ClN5O.C22H22FN5O.3CH4/c1-14(29-22(32)15-5-7-16(24)8-6-15)17-9-10-19-18(30-17)4-3-11-31(19)21-12-20(23(2,25)26)27-13-28-21;1-15-25-13-10-21(26-15)29-14-2-3-18-19(29)8-9-20(27-18)23(11-12-23)28-22(30)16-4-6-17(24)7-5-16;2*1-14(25-22(29)16-5-7-17(23)8-6-16)18-9-10-20-19(27-18)4-3-13-28(20)21-11-12-24-15(2)26-21;;;/h5-10,12-14H,3-4,11H2,1-2H3,(H,29,32);4-10,13H,2-3,11-12,14H2,1H3,(H,28,30);2*5-12,14H,3-4,13H2,1-2H3,(H,25,29);3*1H4.
What are the key properties of 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane?
4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane has a molecular weight of 1692.40 g/mol, XLogP of 18.73, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;N-[1-[5-[6-(1,1-difluoroethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide;methane is sourced from PubChem (CID 158186055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158186055 — identifiers, structure, computed properties (public domain)
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