About N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide (PubChem CID 25218746) has the molecular formula C25H19ClF2N4O5
and a molecular weight of 528.90 g/mol. Its IUPAC name is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide |
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| PubChem CID | 25218746 |
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| Molecular Formula | C25H19ClF2N4O5 |
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| Molecular Weight | 528.90 g/mol |
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| Exact Mass | 528.10 |
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| IUPAC Name | N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide |
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| SMILES | Nc1nccc(Oc2ccc(NC(=O)c3c(OCCO)ccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl |
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| InChI | InChI=1S/C25H19ClF2N4O5/c26-22-20(7-9-30-23(22)29)37-18-6-3-15(13-17(18)28)31-24(34)21-19(36-12-11-33)8-10-32(25(21)35)16-4-1-14(27)2-5-16/h1-10,13,33H,11-12H2,(H2,29,30)(H,31,34) |
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| InChIKey | OWZVZGPZNVFUJF-UHFFFAOYSA-N |
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| XLogP | 4.16 |
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| TPSA | 128.70 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 528.90 |
| LogP ≤ 5 | 4.16 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide (CID 25218746) is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide is Nc1nccc(Oc2ccc(NC(=O)c3c(OCCO)ccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl.
What is the InChIKey of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide?
The InChIKey is OWZVZGPZNVFUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N4O5/c26-22-20(7-9-30-23(22)29)37-18-6-3-15(13-17(18)28)31-24(34)21-19(36-12-11-33)8-10-32(25(21)35)16-4-1-14(27)2-5-16/h1-10,13,33H,11-12H2,(H2,29,30)(H,31,34).
What are the key properties of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide?
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide has a molecular weight of 528.90 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 25218746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).