About N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide
N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 170781588) has the molecular formula C26H26F2N4O2
and a molecular weight of 464.52 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide |
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| PubChem CID | 170781588 |
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| Molecular Formula | C26H26F2N4O2 |
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| Molecular Weight | 464.52 g/mol |
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| Exact Mass | 464.20 |
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| IUPAC Name | N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide |
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| SMILES | CCC1=Nc2ccc(CN3CC=C(c4ccc(C(=O)NC5CC5)nc4F)CC3)c(F)c2CC1=O |
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| InChI | InChI=1S/C26H26F2N4O2/c1-2-20-23(33)13-19-21(30-20)7-3-16(24(19)27)14-32-11-9-15(10-12-32)18-6-8-22(31-25(18)28)26(34)29-17-4-5-17/h3,6-9,17H,2,4-5,10-14H2,1H3,(H,29,34) |
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| InChIKey | PERZWFPWAHEETO-UHFFFAOYSA-N |
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| XLogP | 4.15 |
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| TPSA | 74.66 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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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 | 464.52 |
| LogP ≤ 5 | 4.15 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Analyze N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide (CID 170781588) is N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide is CCC1=Nc2ccc(CN3CC=C(c4ccc(C(=O)NC5CC5)nc4F)CC3)c(F)c2CC1=O.
What is the InChIKey of N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide?
The InChIKey is PERZWFPWAHEETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-2-20-23(33)13-19-21(30-20)7-3-16(24(19)27)14-32-11-9-15(10-12-32)18-6-8-22(31-25(18)28)26(34)29-17-4-5-17/h3,6-9,17H,2,4-5,10-14H2,1H3,(H,29,34).
What are the key properties of N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide?
N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 170781588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).