About N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine
N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine (PubChem CID 86615033) has the molecular formula C24H24N4O
and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine.
Molecular Properties
| Compound Name | N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine |
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| PubChem CID | 86615033 |
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| Molecular Formula | C24H24N4O |
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| Molecular Weight | 384.48 g/mol |
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| Exact Mass | 384.20 |
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| IUPAC Name | N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine |
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| SMILES | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(=NO)c2ccccc2)cc1 |
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| InChI | InChI=1S/C24H24N4O/c1-4-21-26-22-16(2)14-17(3)25-24(22)28(21)15-18-10-12-20(13-11-18)23(27-29)19-8-6-5-7-9-19/h5-14,29H,4,15H2,1-3H3 |
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| InChIKey | ONLABECFCVKJON-UHFFFAOYSA-N |
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| XLogP | 4.89 |
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| TPSA | 63.30 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 29 |
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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 | 384.48 |
| LogP ≤ 5 | 4.89 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine (CID 86615033) is N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(=NO)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine?
The InChIKey is ONLABECFCVKJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-4-21-26-22-16(2)14-17(3)25-24(22)28(21)15-18-10-12-20(13-11-18)23(27-29)19-8-6-5-7-9-19/h5-14,29H,4,15H2,1-3H3.
What are the key properties of N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine?
N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine has a molecular weight of 384.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 86615033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).