About N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide
N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide (PubChem CID 175106752) has the molecular formula C24H18ClFN6O3
and a molecular weight of 492.90 g/mol. Its IUPAC name is N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide.
Molecular Properties
| Compound Name | N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide |
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| PubChem CID | 175106752 |
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| Molecular Formula | C24H18ClFN6O3 |
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| Molecular Weight | 492.90 g/mol |
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| Exact Mass | 492.11 |
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| IUPAC Name | N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide |
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| SMILES | C=CCc1cc(F)ccc1-c1c[nH]nc(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)nc2)c1=O |
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| InChI | InChI=1S/C24H18ClFN6O3/c1-2-3-13-10-14(26)4-6-16(13)17-12-30-32-21(22(17)33)24(34)31-15-5-7-19(29-11-15)35-18-8-9-28-23(27)20(18)25/h2,4-12H,1,3H2,(H2,27,28)(H,30,33)(H,31,34) |
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| InChIKey | PLLCIVBUUSBOGG-UHFFFAOYSA-N |
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| XLogP | 4.37 |
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| TPSA | 135.88 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 35 |
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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 | 492.90 |
| LogP ≤ 5 | 4.37 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide (CID 175106752) is N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide is C=CCc1cc(F)ccc1-c1c[nH]nc(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)nc2)c1=O.
What is the InChIKey of N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is PLLCIVBUUSBOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6O3/c1-2-3-13-10-14(26)4-6-16(13)17-12-30-32-21(22(17)33)24(34)31-15-5-7-19(29-11-15)35-18-8-9-28-23(27)20(18)25/h2,4-12H,1,3H2,(H2,27,28)(H,30,33)(H,31,34).
What are the key properties of N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide?
N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 492.90 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 175106752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).