About (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
(2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 155160713) has the molecular formula C24H29F3N4O5
and a molecular weight of 510.51 g/mol. Its IUPAC name is (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.
Molecular Properties
| Compound Name | (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide |
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| PubChem CID | 155160713 |
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| Molecular Formula | C24H29F3N4O5 |
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| Molecular Weight | 510.51 g/mol |
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| Exact Mass | 510.21 |
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| IUPAC Name | (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide |
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| SMILES | Cc1ccc(NC(=O)N2CCO[C@H](C(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1 |
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| InChI | InChI=1S/C24H29F3N4O5/c1-16-2-3-18(28-23(33)31-6-10-35-20(15-31)24(25,26)27)14-19(16)17-12-21(30-4-8-34-9-5-30)29-22(13-17)36-11-7-32/h2-3,12-14,20,32H,4-11,15H2,1H3,(H,28,33)/t20-/m0/s1 |
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| InChIKey | CJLIZQYPXHQZRK-FQEVSTJZSA-N |
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| XLogP | 3.06 |
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| TPSA | 96.39 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 510.51 |
| LogP ≤ 5 | 3.06 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (CID 155160713) is (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is Cc1ccc(NC(=O)N2CCO[C@H](C(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.
What is the InChIKey of (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is CJLIZQYPXHQZRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29F3N4O5/c1-16-2-3-18(28-23(33)31-6-10-35-20(15-31)24(25,26)27)14-19(16)17-12-21(30-4-8-34-9-5-30)29-22(13-17)36-11-7-32/h2-3,12-14,20,32H,4-11,15H2,1H3,(H,28,33)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
(2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 510.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 155160713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).