About N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide (PubChem CID 155477917) has the molecular formula C26H27N7O
and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide.
Molecular Properties
| Compound Name | N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide |
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| PubChem CID | 155477917 |
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| Molecular Formula | C26H27N7O |
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| Molecular Weight | 453.55 g/mol |
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| Exact Mass | 453.23 |
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| IUPAC Name | N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide |
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| SMILES | Cc1ccncc1-c1cc2cc(NC(=O)C=C3CCC(c4ccn(C)n4)CC3)ncc2c(N)n1 |
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| InChI | InChI=1S/C26H27N7O/c1-16-7-9-28-14-20(16)23-12-19-13-24(29-15-21(19)26(27)30-23)31-25(34)11-17-3-5-18(6-4-17)22-8-10-33(2)32-22/h7-15,18H,3-6H2,1-2H3,(H2,27,30)(H,29,31,34)/b17-11- |
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| InChIKey | URMLDRNVPZTIGE-BOPFTXTBSA-N |
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| XLogP | 4.54 |
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| TPSA | 111.61 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 34 |
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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 | 453.55 |
| LogP ≤ 5 | 4.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide?
The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide (CID 155477917) is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide.
What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide?
The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide is Cc1ccncc1-c1cc2cc(NC(=O)C=C3CCC(c4ccn(C)n4)CC3)ncc2c(N)n1.
What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide?
The InChIKey is URMLDRNVPZTIGE-BOPFTXTBSA-N. The full InChI is InChI=1S/C26H27N7O/c1-16-7-9-28-14-20(16)23-12-19-13-24(29-15-21(19)26(27)30-23)31-25(34)11-17-3-5-18(6-4-17)22-8-10-33(2)32-22/h7-15,18H,3-6H2,1-2H3,(H2,27,30)(H,29,31,34)/b17-11-.
What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide?
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide has a molecular weight of 453.55 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide is sourced from PubChem (CID 155477917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).