About 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide (PubChem CID 24900367) has the molecular formula C34H36FN5O4
and a molecular weight of 597.69 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide.
Molecular Properties
| Compound Name | 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide |
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| PubChem CID | 24900367 |
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| Molecular Formula | C34H36FN5O4 |
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| Molecular Weight | 597.69 g/mol |
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| Exact Mass | 597.28 |
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| IUPAC Name | 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide |
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| SMILES | Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(F)cc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c(=O)n(C)c1 |
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| InChI | InChI=1S/C34H36FN5O4/c1-21-27(17-26(35)18-28(21)38-31(41)22-6-9-25(10-7-22)34(2,3)4)24-16-29(33(43)39(5)20-24)37-30-11-8-23(19-36-30)32(42)40-12-14-44-15-13-40/h6-11,16-20H,12-15H2,1-5H3,(H,36,37)(H,38,41) |
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| InChIKey | KEZPURNWEVGGQH-UHFFFAOYSA-N |
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| XLogP | 5.66 |
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| TPSA | 105.56 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 597.69 |
| LogP ≤ 5 | 5.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide (CID 24900367) is 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(F)cc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c(=O)n(C)c1.
What is the InChIKey of 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide?
The InChIKey is KEZPURNWEVGGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN5O4/c1-21-27(17-26(35)18-28(21)38-31(41)22-6-9-25(10-7-22)34(2,3)4)24-16-29(33(43)39(5)20-24)37-30-11-8-23(19-36-30)32(42)40-12-14-44-15-13-40/h6-11,16-20H,12-15H2,1-5H3,(H,36,37)(H,38,41).
What are the key properties of 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide?
4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide has a molecular weight of 597.69 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 24900367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).