About 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 168929259) has the molecular formula C28H26FN5O2
and a molecular weight of 483.55 g/mol. Its IUPAC name is 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide |
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| PubChem CID | 168929259 |
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| Molecular Formula | C28H26FN5O2 |
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| Molecular Weight | 483.55 g/mol |
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| Exact Mass | 483.21 |
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| IUPAC Name | 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide |
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| SMILES | CNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)ccc3C)ccn2)ccn1 |
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| InChI | InChI=1S/C28H26FN5O2/c1-17-5-6-21(34-26(35)20-9-12-33-25(15-20)28(2,3)29)16-22(17)18-7-10-31-23(13-18)19-8-11-32-24(14-19)27(36)30-4/h5-16H,1-4H3,(H,30,36)(H,34,35) |
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| InChIKey | IOHMOFMPUPAQNC-UHFFFAOYSA-N |
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| XLogP | 5.33 |
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| TPSA | 96.87 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 483.55 |
| LogP ≤ 5 | 5.33 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide (CID 168929259) is 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)ccc3C)ccn2)ccn1.
What is the InChIKey of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is IOHMOFMPUPAQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-17-5-6-21(34-26(35)20-9-12-33-25(15-20)28(2,3)29)16-22(17)18-7-10-31-23(13-18)19-8-11-32-24(14-19)27(36)30-4/h5-16H,1-4H3,(H,30,36)(H,34,35).
What are the key properties of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 168929259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).