5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

C19H21FN2O3S — CID 58746198

IUPAC5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CCC[C@H](O)C2)c1
InChIInChI=1S/C19H21FN2O3S/c1-26-16-7-3-6-15(10-16)25-19-17(8-12(20)11-21-19)18(24)22-13-4-2-5-14(23)9-13/h3,6-8,10-11,13-14,23H,2,4-5,9H2,1H3,(H,22,24)/t13-,14+/m1/s1
InChIKeyCZRJIDOXHBIOHL-KGLIPLIRSA-N
MW376.45 g/mol
LogP3.77
Rot. Bonds5

About 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 58746198) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID58746198
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CCC[C@H](O)C2)c1
InChIInChI=1S/C19H21FN2O3S/c1-26-16-7-3-6-15(10-16)25-19-17(8-12(20)11-21-19)18(24)22-13-4-2-5-14(23)9-13/h3,6-8,10-11,13-14,23H,2,4-5,9H2,1H3,(H,22,24)/t13-,14+/m1/s1
InChIKeyCZRJIDOXHBIOHL-KGLIPLIRSA-N
XLogP3.77
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 58746198) is 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CCC[C@H](O)C2)c1.
What is the InChIKey of 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is CZRJIDOXHBIOHL-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-26-16-7-3-6-15(10-16)25-19-17(8-12(20)11-21-19)18(24)22-13-4-2-5-14(23)9-13/h3,6-8,10-11,13-14,23H,2,4-5,9H2,1H3,(H,22,24)/t13-,14+/m1/s1.
What are the key properties of 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 58746198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).