14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide

C27H34FN3O5 — CID 123871445

About 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide

14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide (PubChem CID 123871445) has the molecular formula C27H34FN3O5 and a molecular weight of 499.58 g/mol. Its IUPAC name is 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide.

Molecular Properties

• Compound Name: 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide
• PubChem CID: 123871445
• Molecular Formula: C27H34FN3O5
• Molecular Weight: 499.58 g/mol
• Exact Mass: 499.25
• IUPAC Name: 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide
• SMILES: CN(C)C1CC23CCC4(O2)C(=CCC2(C)C(C(=O)Nc5cccnc5)=CCC24)C(O)C3(F)C(O)C1O
• InChI: InChI=1S/C27H34FN3O5/c1-24-9-8-16-21(33)27(28)22(34)20(32)18(31(2)3)13-25(27)10-11-26(16,36-25)19(24)7-6-17(24)23(35)30-15-5-4-12-29-14-15/h4-6,8,12,14,18-22,32-34H,7,9-11,13H2,1-3H3,(H,30,35)
• InChIKey: YXYACSGKZYPDEV-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 115.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.58
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide?

The IUPAC name of 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide (CID 123871445) is 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide.

What is the SMILES notation for 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide?

The canonical SMILES for 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide is CN(C)C1CC23CCC4(O2)C(=CCC2(C)C(C(=O)Nc5cccnc5)=CCC24)C(O)C3(F)C(O)C1O.

What is the InChIKey of 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide?

The InChIKey is YXYACSGKZYPDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O5/c1-24-9-8-16-21(33)27(28)22(34)20(32)18(31(2)3)13-25(27)10-11-26(16,36-25)19(24)7-6-17(24)23(35)30-15-5-4-12-29-14-15/h4-6,8,12,14,18-22,32-34H,7,9-11,13H2,1-3H3,(H,30,35).

What are the key properties of 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide?

14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(dimethylamino)-11-fluoro-10,12,13-trihydroxy-6-methyl-N-pyridin-3-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-4,8-diene-5-carboxamide is sourced from PubChem (CID 123871445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).