5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C23H26FN3O4S — CID 11282580

IUPAC5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)C3CCOC3)CC2)c1
InChIInChI=1S/C23H26FN3O4S/c1-32-19-4-2-3-18(12-19)31-22-20(11-16(24)13-25-22)21(28)26-17-5-8-27(9-6-17)23(29)15-7-10-30-14-15/h2-4,11-13,15,17H,5-10,14H2,1H3,(H,26,28)
InChIKeyRMXZPNQDIXEDPO-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.49
Rot. Bonds6

About 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 11282580) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID11282580
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)C3CCOC3)CC2)c1
InChIInChI=1S/C23H26FN3O4S/c1-32-19-4-2-3-18(12-19)31-22-20(11-16(24)13-25-22)21(28)26-17-5-8-27(9-6-17)23(29)15-7-10-30-14-15/h2-4,11-13,15,17H,5-10,14H2,1H3,(H,26,28)
InChIKeyRMXZPNQDIXEDPO-UHFFFAOYSA-N
XLogP3.49
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 11282580) is 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)C3CCOC3)CC2)c1.
What is the InChIKey of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is RMXZPNQDIXEDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-32-19-4-2-3-18(12-19)31-22-20(11-16(24)13-25-22)21(28)26-17-5-8-27(9-6-17)23(29)15-7-10-30-14-15/h2-4,11-13,15,17H,5-10,14H2,1H3,(H,26,28).
What are the key properties of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 459.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 11282580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).