N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide

C20H22F2N4O4S — CID 167926842

IUPACN-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(F)cc(F)c2)nc1)N1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C20H22F2N4O4S/c21-14-9-15(22)11-18(10-14)30-19-5-4-16(12-23-19)24-20(27)25-6-1-3-17(13-25)26-7-2-8-31(26,28)29/h4-5,9-12,17H,1-3,6-8,13H2,(H,24,27)
InChIKeyFGGCJFPFGSHZNB-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.18
Rot. Bonds4

About N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide

N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide (PubChem CID 167926842) has the molecular formula C20H22F2N4O4S and a molecular weight of 452.48 g/mol. Its IUPAC name is N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
PubChem CID167926842
Molecular FormulaC20H22F2N4O4S
Molecular Weight452.48 g/mol
Exact Mass452.13
IUPAC NameN-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(F)cc(F)c2)nc1)N1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C20H22F2N4O4S/c21-14-9-15(22)11-18(10-14)30-19-5-4-16(12-23-19)24-20(27)25-6-1-3-17(13-25)26-7-2-8-31(26,28)29/h4-5,9-12,17H,1-3,6-8,13H2,(H,24,27)
InChIKeyFGGCJFPFGSHZNB-UHFFFAOYSA-N
XLogP3.18
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-propoxypiperidine-1-carboxamide
CID 72846235
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 71845869
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
(9aS)-N-(6-chloro-3-pyridinyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 118789483
2-N-[6-(3,5-difluorophenoxy)-3-pyridinyl]thiophene-2,5-dicarboxamide
CID 167885546
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849090
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138699

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide (CID 167926842) is N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide is O=C(Nc1ccc(Oc2cc(F)cc(F)c2)nc1)N1CCCC(N2CCCS2(=O)=O)C1.
What is the InChIKey of N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
The InChIKey is FGGCJFPFGSHZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4S/c21-14-9-15(22)11-18(10-14)30-19-5-4-16(12-23-19)24-20(27)25-6-1-3-17(13-25)26-7-2-8-31(26,28)29/h4-5,9-12,17H,1-3,6-8,13H2,(H,24,27).
What are the key properties of N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 167926842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).