About N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 90461261) has the molecular formula C27H28F3N5O3
and a molecular weight of 527.55 g/mol. Its IUPAC name is N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
Molecular Properties
| Compound Name | N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
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| PubChem CID | 90461261 |
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| Molecular Formula | C27H28F3N5O3 |
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| Molecular Weight | 527.55 g/mol |
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| Exact Mass | 527.21 |
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| IUPAC Name | N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
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| SMILES | Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCC(O)C2)c1 |
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| InChI | InChI=1S/C27H28F3N5O3/c1-17-2-3-20(32-26(37)18-4-6-31-23(12-18)27(28,29)30)15-22(17)19-13-24(34-8-10-38-11-9-34)33-25(14-19)35-7-5-21(36)16-35/h2-4,6,12-15,21,36H,5,7-11,16H2,1H3,(H,32,37) |
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| InChIKey | GVGXLHDLBAGKKC-UHFFFAOYSA-N |
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| XLogP | 4.13 |
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| TPSA | 90.82 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 527.55 |
| LogP ≤ 5 | 4.13 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 90461261) is N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCC(O)C2)c1.
What is the InChIKey of N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is GVGXLHDLBAGKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5O3/c1-17-2-3-20(32-26(37)18-4-6-31-23(12-18)27(28,29)30)15-22(17)19-13-24(34-8-10-38-11-9-34)33-25(14-19)35-7-5-21(36)16-35/h2-4,6,12-15,21,36H,5,7-11,16H2,1H3,(H,32,37).
What are the key properties of N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 527.55 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 90461261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).