About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710625) has the molecular formula C32H34FN5O2
and a molecular weight of 539.66 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide |
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| PubChem CID | 66710625 |
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| Molecular Formula | C32H34FN5O2 |
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| Molecular Weight | 539.66 g/mol |
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| Exact Mass | 539.27 |
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| IUPAC Name | N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide |
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| SMILES | N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCCC(Cc5ccc(F)cc5)C4)cn3)CC2)cc1 |
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| InChI | InChI=1S/C32H34FN5O2/c33-28-10-7-23(8-11-28)18-26-2-1-15-38(22-26)32(40)27-9-12-30(35-20-27)31(39)36-29-13-16-37(17-14-29)21-25-5-3-24(19-34)4-6-25/h3-12,20,26,29H,1-2,13-18,21-22H2,(H,36,39) |
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| InChIKey | SWDLJAZQRMNAGX-UHFFFAOYSA-N |
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| XLogP | 4.58 |
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| TPSA | 89.33 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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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 | 539.66 |
| LogP ≤ 5 | 4.58 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710625) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide is N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCCC(Cc5ccc(F)cc5)C4)cn3)CC2)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is SWDLJAZQRMNAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O2/c33-28-10-7-23(8-11-28)18-26-2-1-15-38(22-26)32(40)27-9-12-30(35-20-27)31(39)36-29-13-16-37(17-14-29)21-25-5-3-24(19-34)4-6-25/h3-12,20,26,29H,1-2,13-18,21-22H2,(H,36,39).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 539.66 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).