About N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 168929262) has the molecular formula C29H27FN6O2
and a molecular weight of 510.57 g/mol. Its IUPAC name is N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
Molecular Properties
| Compound Name | N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide |
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| PubChem CID | 168929262 |
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| Molecular Formula | C29H27FN6O2 |
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| Molecular Weight | 510.57 g/mol |
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| Exact Mass | 510.22 |
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| IUPAC Name | N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide |
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| SMILES | Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cncc(-c2ccnc(NC(=O)C3CC3)c2)c1 |
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| InChI | InChI=1S/C29H27FN6O2/c1-17-24(13-23(16-34-17)35-28(38)20-7-8-32-25(11-20)29(2,3)30)22-10-21(14-31-15-22)19-6-9-33-26(12-19)36-27(37)18-4-5-18/h6-16,18H,4-5H2,1-3H3,(H,35,38)(H,33,36,37) |
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| InChIKey | SONUUCJPVGACDQ-UHFFFAOYSA-N |
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| XLogP | 5.71 |
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| TPSA | 109.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 510.57 |
| LogP ≤ 5 | 5.71 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 168929262) is N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cncc(-c2ccnc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is SONUUCJPVGACDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O2/c1-17-24(13-23(16-34-17)35-28(38)20-7-8-32-25(11-20)29(2,3)30)22-10-21(14-31-15-22)19-6-9-33-26(12-19)36-27(37)18-4-5-18/h6-16,18H,4-5H2,1-3H3,(H,35,38)(H,33,36,37).
What are the key properties of N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 510.57 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 168929262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).