About N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (PubChem CID 175150469) has the molecular formula C25H28N6O5S
and a molecular weight of 524.60 g/mol. Its IUPAC name is N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.
Molecular Properties
| Compound Name | N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide |
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| PubChem CID | 175150469 |
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| Molecular Formula | C25H28N6O5S |
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| Molecular Weight | 524.60 g/mol |
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| Exact Mass | 524.18 |
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| IUPAC Name | N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide |
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| SMILES | Cc1nc(N2CCOCC2)c(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CC(O)C2)c1 |
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| InChI | InChI=1S/C25H28N6O5S/c1-16-20(17-3-5-26-22(11-17)31-14-19(32)15-31)13-21(24(28-16)30-7-9-36-10-8-30)29-25(33)18-4-6-27-23(12-18)37(2,34)35/h3-6,11-13,19,32H,7-10,14-15H2,1-2H3,(H,29,33) |
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| InChIKey | RSHFUKBRQIKXNQ-UHFFFAOYSA-N |
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| XLogP | 1.52 |
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| TPSA | 137.85 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 524.60 |
| LogP ≤ 5 | 1.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (CID 175150469) is N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is Cc1nc(N2CCOCC2)c(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CC(O)C2)c1.
What is the InChIKey of N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The InChIKey is RSHFUKBRQIKXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O5S/c1-16-20(17-3-5-26-22(11-17)31-14-19(32)15-31)13-21(24(28-16)30-7-9-36-10-8-30)29-25(33)18-4-6-27-23(12-18)37(2,34)35/h3-6,11-13,19,32H,7-10,14-15H2,1-2H3,(H,29,33).
What are the key properties of N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide has a molecular weight of 524.60 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-hydroxyazetidin-1-yl)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 175150469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).