About N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide
N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide (PubChem CID 70367380) has the molecular formula C50H53N7O
and a molecular weight of 768.02 g/mol. Its IUPAC name is N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide.
Molecular Properties
| Compound Name | N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide |
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| PubChem CID | 70367380 |
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| Molecular Formula | C50H53N7O |
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| Molecular Weight | 768.02 g/mol |
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| Exact Mass | 767.43 |
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| IUPAC Name | N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide |
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| SMILES | CCC(=O)N(c1ccncc1)n1c2ccccc2c2ccccc21.c1ccc2c(c1)c1ccccc1n2N(CCCCN1CCC2(CCCC2)CC1)c1ccncc1 |
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| InChI | InChI=1S/C30H36N4.C20H17N3O/c1-3-11-28-26(9-1)27-10-2-4-12-29(27)34(28)33(25-13-19-31-20-14-25)22-8-7-21-32-23-17-30(18-24-32)15-5-6-16-30;1-2-20(24)22(15-11-13-21-14-12-15)23-18-9-5-3-7-16(18)17-8-4-6-10-19(17)23/h1-4,9-14,19-20H,5-8,15-18,21-24H2;3-14H,2H2,1H3 |
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| InChIKey | HGNBHDSTYWRNLW-UHFFFAOYSA-N |
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| XLogP | 11.29 |
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| TPSA | 62.43 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 768.02 |
| LogP ≤ 5 | 11.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide?
The IUPAC name of N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide (CID 70367380) is N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide?
The canonical SMILES for N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide is CCC(=O)N(c1ccncc1)n1c2ccccc2c2ccccc21.c1ccc2c(c1)c1ccccc1n2N(CCCCN1CCC2(CCCC2)CC1)c1ccncc1.
What is the InChIKey of N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide?
The InChIKey is HGNBHDSTYWRNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4.C20H17N3O/c1-3-11-28-26(9-1)27-10-2-4-12-29(27)34(28)33(25-13-19-31-20-14-25)22-8-7-21-32-23-17-30(18-24-32)15-5-6-16-30;1-2-20(24)22(15-11-13-21-14-12-15)23-18-9-5-3-7-16(18)17-8-4-6-10-19(17)23/h1-4,9-14,19-20H,5-8,15-18,21-24H2;3-14H,2H2,1H3.
What are the key properties of N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide?
N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide has a molecular weight of 768.02 g/mol, XLogP of 11.29, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 70367380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).