About 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 86291853) has the molecular formula C27H23F5N4O4
and a molecular weight of 562.50 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
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| PubChem CID | 86291853 |
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| Molecular Formula | C27H23F5N4O4 |
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| Molecular Weight | 562.50 g/mol |
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| Exact Mass | 562.16 |
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| IUPAC Name | 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
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| SMILES | O=C(Nc1ccc(OC(F)(F)F)c(NC(=O)C2(N3CCOCC3)CC2)c1)c1ccc(-c2cc(F)cc(F)c2)nc1 |
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| InChI | InChI=1S/C27H23F5N4O4/c28-18-11-17(12-19(29)13-18)21-3-1-16(15-33-21)24(37)34-20-2-4-23(40-27(30,31)32)22(14-20)35-25(38)26(5-6-26)36-7-9-39-10-8-36/h1-4,11-15H,5-10H2,(H,34,37)(H,35,38) |
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| InChIKey | PXNZOIRDQDZNGP-UHFFFAOYSA-N |
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| XLogP | 4.98 |
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| TPSA | 92.79 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 562.50 |
| LogP ≤ 5 | 4.98 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 86291853) is 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)c(NC(=O)C2(N3CCOCC3)CC2)c1)c1ccc(-c2cc(F)cc(F)c2)nc1.
What is the InChIKey of 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is PXNZOIRDQDZNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F5N4O4/c28-18-11-17(12-19(29)13-18)21-3-1-16(15-33-21)24(37)34-20-2-4-23(40-27(30,31)32)22(14-20)35-25(38)26(5-6-26)36-7-9-39-10-8-36/h1-4,11-15H,5-10H2,(H,34,37)(H,35,38).
What are the key properties of 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 562.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86291853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).