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

C23H25FN4O4S — CID 11236806

IUPAC5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)C3CCC(=O)N3)CC2)c1
InChIInChI=1S/C23H25FN4O4S/c1-33-17-4-2-3-16(12-17)32-22-18(11-14(24)13-25-22)21(30)26-15-7-9-28(10-8-15)23(31)19-5-6-20(29)27-19/h2-4,11-13,15,19H,5-10H2,1H3,(H,26,30)(H,27,29)
InChIKeyXBZSQZZOGUOJGG-UHFFFAOYSA-N
MW472.54 g/mol
LogP2.73
Rot. Bonds6

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

5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 11236806) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID11236806
Molecular FormulaC23H25FN4O4S
Molecular Weight472.54 g/mol
Exact Mass472.16
IUPAC Name5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)C3CCC(=O)N3)CC2)c1
InChIInChI=1S/C23H25FN4O4S/c1-33-17-4-2-3-16(12-17)32-22-18(11-14(24)13-25-22)21(30)26-15-7-9-28(10-8-15)23(31)19-5-6-20(29)27-19/h2-4,11-13,15,19H,5-10H2,1H3,(H,26,30)(H,27,29)
InChIKeyXBZSQZZOGUOJGG-UHFFFAOYSA-N
XLogP2.73
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)nicotinamide
CID 18734933
(4-Isopropylpiperazin-1-yl)(6-(4-(methylthio)phenoxy)pyridin-3-yl)methanone
CID 24771243
2-(4-fluorophenoxy)-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 46869624
6-(4-fluorophenoxy)-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide
CID 2769143
2-(4-methylphenoxy)-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide
CID 3749684
2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 2541909
2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 46942622
3-Pyridinecarboxamide, N-(4-fluorophenyl)-2-(3-(methylsulfonyl)phenoxy)-
CID 158320
N-(1-Acetyl-piperidin-4-yl)-2-(4-methylsulfanyl-phenoxy)-5-fluoro-nicotinamide
CID 11165584
5-fluoro-2-(3-methylsulfanyl-phenoxy)-N-[1-(pyridine-3-carbonyl)-piperidin-4-yl]-nicotinamide
CID 11167225
5-fluoro-N-[4-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11168146
5-fluoro-N-[1-(2-hydroxy-4-methyl-benzoyl)-piperidin-4-yl]-2-(3-methylsulfanyl-phenoxy)-nicotinamide
CID 11191156

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 11236806) is 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)C3CCC(=O)N3)CC2)c1.
What is the InChIKey of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XBZSQZZOGUOJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c1-33-17-4-2-3-16(12-17)32-22-18(11-14(24)13-25-22)21(30)26-15-7-9-28(10-8-15)23(31)19-5-6-20(29)27-19/h2-4,11-13,15,19H,5-10H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 11236806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).