About N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 135330023) has the molecular formula C33H41N5O3
and a molecular weight of 555.72 g/mol. Its IUPAC name is N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide.
Molecular Properties
| Compound Name | N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide |
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| PubChem CID | 135330023 |
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| Molecular Formula | C33H41N5O3 |
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| Molecular Weight | 555.72 g/mol |
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| Exact Mass | 555.32 |
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| IUPAC Name | N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide |
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| SMILES | COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1C#N |
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| InChI | InChI=1S/C33H41N5O3/c1-22(2)38-21-29(19-36-38)27-14-15-35-32(17-27)37(33(40)25-8-11-30(39)12-9-25)20-23-4-6-24(7-5-23)26-10-13-31(41-3)28(16-26)18-34/h10,13-17,19,21-25,30,39H,4-9,11-12,20H2,1-3H3 |
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| InChIKey | IHWGLQRCBDXMMX-UHFFFAOYSA-N |
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| XLogP | 6.26 |
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| TPSA | 104.27 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 555.72 |
| LogP ≤ 5 | 6.26 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 135330023) is N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1C#N.
What is the InChIKey of N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is IHWGLQRCBDXMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O3/c1-22(2)38-21-29(19-36-38)27-14-15-35-32(17-27)37(33(40)25-8-11-30(39)12-9-25)20-23-4-6-24(7-5-23)26-10-13-31(41-3)28(16-26)18-34/h10,13-17,19,21-25,30,39H,4-9,11-12,20H2,1-3H3.
What are the key properties of N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 555.72 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135330023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).