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

C22H25FN4O4S — CID 11328664

IUPACN-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)CNC(C)=O)CC2)c1
InChIInChI=1S/C22H25FN4O4S/c1-14(28)24-13-20(29)27-8-6-16(7-9-27)26-21(30)19-10-15(23)12-25-22(19)31-17-4-3-5-18(11-17)32-2/h3-5,10-12,16H,6-9,13H2,1-2H3,(H,24,28)(H,26,30)
InChIKeyRKTMUNDCMZMDBF-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.59
Rot. Bonds7

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

N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 11328664) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID11328664
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC NameN-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)CNC(C)=O)CC2)c1
InChIInChI=1S/C22H25FN4O4S/c1-14(28)24-13-20(29)27-8-6-16(7-9-27)26-21(30)19-10-15(23)12-25-22(19)31-17-4-3-5-18(11-17)32-2/h3-5,10-12,16H,6-9,13H2,1-2H3,(H,24,28)(H,26,30)
InChIKeyRKTMUNDCMZMDBF-UHFFFAOYSA-N
XLogP2.59
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984467
5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11283604
N-[4-[(3,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11295208
N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984476
5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 58746198
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-2-(3-methylsulfanylphenoxy)-N-[4-(propanoylamino)cyclohexyl]pyridine-3-carboxamide
CID 159642889
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-N-[4-[(2-methoxyacetyl)amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 159168206
5-fluoro-N-[4-[[1-(2-hydroxyethyl)-5-methylpyrazole-3-carbonyl]amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11466675
N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide
CID 59984450
N-(1-methylpiperidin-4-yl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 91571975
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-2-(3-methylsulfanylphenoxy)-N-[4-(oxolane-3-carbonylamino)cyclohexyl]pyridine-3-carboxamide
CID 161479925

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 11328664) is N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)CNC(C)=O)CC2)c1.
What is the InChIKey of N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is RKTMUNDCMZMDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c1-14(28)24-13-20(29)27-8-6-16(7-9-27)26-21(30)19-10-15(23)12-25-22(19)31-17-4-3-5-18(11-17)32-2/h3-5,10-12,16H,6-9,13H2,1-2H3,(H,24,28)(H,26,30).
What are the key properties of N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11328664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).