3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide
C90H74Cl4F4N24O4 — CID 159263861
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)n1.CC(C)NC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.CN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1.NCCC(=O)Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)ncn1
InChIInChI=1S/C26H24ClFN6O.C23H19ClFN5O.C21H17ClFN7O.C20H14ClFN6O/c1-34-11-7-17(8-12-34)31-26(35)20-15-29-10-6-22(20)32-23-14-24(19-13-16(27)4-5-21(19)28)33-25-18(23)3-2-9-30-25;1-13(2)28-23(31)17-12-26-9-7-19(17)29-20-11-21(16-10-14(24)5-6-18(16)25)30-22-15(20)4-3-8-27-22;22-12-3-4-15(23)14(8-12)17-9-16(13-2-1-7-25-21(13)29-17)28-18-10-19(27-11-26-18)30-20(31)5-6-24;1-11(29)25-20-24-8-6-18(28-20)26-16-10-17(14-9-12(21)4-5-15(14)22)27-19-13(16)3-2-7-23-19/h2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H,31,35)(H,29,30,32,33);3-13H,1-2H3,(H,28,31)(H,26,27,29,30);1-4,7-11H,5-6,24H2,(H2,25,26,27,28,29,30,31);2-10H,1H3,(H2,23,24,25,26,27,28,29)
InChIKeyKWVSVLGUZUVKIQ-UHFFFAOYSA-N
MW1773.55 g/mol
LogP18.91
Rot. Bonds20
About 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide
3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide (PubChem CID 159263861) has the molecular formula C90H74Cl4F4N24O4 and a molecular weight of 1773.55 g/mol. Its IUPAC name is 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide.
Molecular Properties
| Compound Name | 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide |
|---|---|
| PubChem CID | 159263861 |
| Molecular Formula | C90H74Cl4F4N24O4 |
| Molecular Weight | 1773.55 g/mol |
| Exact Mass | 1770.50 |
| IUPAC Name | 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide |
| SMILES | CC(=O)Nc1nccc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)n1.CC(C)NC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.CN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1.NCCC(=O)Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)ncn1 |
| InChI | InChI=1S/C26H24ClFN6O.C23H19ClFN5O.C21H17ClFN7O.C20H14ClFN6O/c1-34-11-7-17(8-12-34)31-26(35)20-15-29-10-6-22(20)32-23-14-24(19-13-16(27)4-5-21(19)28)33-25-18(23)3-2-9-30-25;1-13(2)28-23(31)17-12-26-9-7-19(17)29-20-11-21(16-10-14(24)5-6-18(16)25)30-22-15(20)4-3-8-27-22;22-12-3-4-15(23)14(8-12)17-9-16(13-2-1-7-25-21(13)29-17)28-18-10-19(27-11-26-18)30-20(31)5-6-24;1-11(29)25-20-24-8-6-18(28-20)26-16-10-17(14-9-12(21)4-5-15(14)22)27-19-13(16)3-2-7-23-19/h2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H,31,35)(H,29,30,32,33);3-13H,1-2H3,(H,28,31)(H,26,27,29,30);1-4,7-11H,5-6,24H2,(H2,25,26,27,28,29,30,31);2-10H,1H3,(H2,23,24,25,26,27,28,29) |
| InChIKey | KWVSVLGUZUVKIQ-UHFFFAOYSA-N |
| XLogP | 18.91 |
| TPSA | 374.24 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 126 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1773.55 |
| LogP ≤ 5 | 18.91 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide?
The IUPAC name of 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide (CID 159263861) is 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide?
The canonical SMILES for 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide is CC(=O)Nc1nccc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)n1.CC(C)NC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.CN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1.NCCC(=O)Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)ncn1.
What is the InChIKey of 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide?
The InChIKey is KWVSVLGUZUVKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6O.C23H19ClFN5O.C21H17ClFN7O.C20H14ClFN6O/c1-34-11-7-17(8-12-34)31-26(35)20-15-29-10-6-22(20)32-23-14-24(19-13-16(27)4-5-21(19)28)33-25-18(23)3-2-9-30-25;1-13(2)28-23(31)17-12-26-9-7-19(17)29-20-11-21(16-10-14(24)5-6-18(16)25)30-22-15(20)4-3-8-27-22;22-12-3-4-15(23)14(8-12)17-9-16(13-2-1-7-25-21(13)29-17)28-18-10-19(27-11-26-18)30-20(31)5-6-24;1-11(29)25-20-24-8-6-18(28-20)26-16-10-17(14-9-12(21)4-5-15(14)22)27-19-13(16)3-2-7-23-19/h2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H,31,35)(H,29,30,32,33);3-13H,1-2H3,(H,28,31)(H,26,27,29,30);1-4,7-11H,5-6,24H2,(H2,25,26,27,28,29,30,31);2-10H,1H3,(H2,23,24,25,26,27,28,29).
What are the key properties of 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide?
3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide has a molecular weight of 1773.55 g/mol, XLogP of 18.91, 20 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]propanamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide;N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 159263861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159263861 — identifiers, structure, computed properties (public domain)
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