About 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 146316190) has the molecular formula C23H32ClF3N4O3
and a molecular weight of 504.98 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide |
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| PubChem CID | 146316190 |
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| Molecular Formula | C23H32ClF3N4O3 |
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| Molecular Weight | 504.98 g/mol |
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| Exact Mass | 504.21 |
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| IUPAC Name | 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide |
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| SMILES | CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C3(C(F)(F)F)CCCO3)CC2)nc1Cl |
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| InChI | InChI=1S/C23H32ClF3N4O3/c1-29(2)20(32)17-7-8-18(28-19(17)24)31-13-9-16(10-14-31)6-4-12-30(3)21(33)22(23(25,26)27)11-5-15-34-22/h7-8,16H,4-6,9-15H2,1-3H3 |
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| InChIKey | ZENPCNJRFGCLKS-UHFFFAOYSA-N |
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| XLogP | 4.00 |
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| TPSA | 65.98 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 504.98 |
| LogP ≤ 5 | 4.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide (CID 146316190) is 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C3(C(F)(F)F)CCCO3)CC2)nc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is ZENPCNJRFGCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClF3N4O3/c1-29(2)20(32)17-7-8-18(28-19(17)24)31-13-9-16(10-14-31)6-4-12-30(3)21(33)22(23(25,26)27)11-5-15-34-22/h7-8,16H,4-6,9-15H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?
2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 504.98 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146316190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).