N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide

C22H26FN3O3S — CID 59984450

IUPACN-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide
SMILESCSc1c(C)cc(Oc2ncc(F)cc2C(=O)NC2CCN(C(C)=O)CC2)cc1C
InChIInChI=1S/C22H26FN3O3S/c1-13-9-18(10-14(2)20(13)30-4)29-22-19(11-16(23)12-24-22)21(28)25-17-5-7-26(8-6-17)15(3)27/h9-12,17H,5-8H2,1-4H3,(H,25,28)
InChIKeyJUOVOZMISPYIRV-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.09
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide

N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide (PubChem CID 59984450) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide
PubChem CID59984450
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide
SMILESCSc1c(C)cc(Oc2ncc(F)cc2C(=O)NC2CCN(C(C)=O)CC2)cc1C
InChIInChI=1S/C22H26FN3O3S/c1-13-9-18(10-14(2)20(13)30-4)29-22-19(11-16(23)12-24-22)21(28)25-17-5-7-26(8-6-17)15(3)27/h9-12,17H,5-8H2,1-4H3,(H,25,28)
InChIKeyJUOVOZMISPYIRV-UHFFFAOYSA-N
XLogP4.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984476
N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11328664
5-fluoro-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984467
5-fluoro-2-(3-methylsulfanylphenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;[2-[4-[[5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate
CID 157467316
5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11283604
[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride
CID 158441058
[(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 173299381
N-[4-[(3,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11295208
[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591179
5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 58746198
N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 10005507
5-fluoro-N-[4-[[1-(2-hydroxyethyl)-5-methylpyrazole-3-carbonyl]amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11466675

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide (CID 59984450) is N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide is CSc1c(C)cc(Oc2ncc(F)cc2C(=O)NC2CCN(C(C)=O)CC2)cc1C.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide?
The InChIKey is JUOVOZMISPYIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c1-13-9-18(10-14(2)20(13)30-4)29-22-19(11-16(23)12-24-22)21(28)25-17-5-7-26(8-6-17)15(3)27/h9-12,17H,5-8H2,1-4H3,(H,25,28).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 59984450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).