About N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (PubChem CID 169111344) has the molecular formula C22H24F3N5O5
and a molecular weight of 495.46 g/mol. Its IUPAC name is N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.
Molecular Properties
| Compound Name | N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide |
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| PubChem CID | 169111344 |
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| Molecular Formula | C22H24F3N5O5 |
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| Molecular Weight | 495.46 g/mol |
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| Exact Mass | 495.17 |
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| IUPAC Name | N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide |
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| SMILES | COCC(C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 |
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| InChI | InChI=1S/C22H24F3N5O5/c1-34-11-17(12-3-4-12)30(10-14-6-5-13(8-27-14)22(23,24)25)21(33)19(32)29-15-7-16(18(26)31)20(35-2)28-9-15/h5-9,12,17H,3-4,10-11H2,1-2H3,(H2,26,31)(H,29,32) |
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| InChIKey | PPGUBQCRJCXRNM-UHFFFAOYSA-N |
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| XLogP | 2.00 |
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| TPSA | 136.74 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 495.46 |
| LogP ≤ 5 | 2.00 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
The IUPAC name of N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (CID 169111344) is N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.
What is the SMILES notation for N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
The canonical SMILES for N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is COCC(C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1.
What is the InChIKey of N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
The InChIKey is PPGUBQCRJCXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O5/c1-34-11-17(12-3-4-12)30(10-14-6-5-13(8-27-14)22(23,24)25)21(33)19(32)29-15-7-16(18(26)31)20(35-2)28-9-15/h5-9,12,17H,3-4,10-11H2,1-2H3,(H2,26,31)(H,29,32).
What are the key properties of N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide has a molecular weight of 495.46 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-6-methoxy-3-pyridinyl)-N'-(1-cyclopropyl-2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is sourced from PubChem (CID 169111344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).