[5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone

C20H23ClN4O3S — CID 56584778

IUPAC[5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(N3CCCS3(=O)=O)cc2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C20H23ClN4O3S/c21-18-13-15(20(26)24-9-2-1-3-10-24)14-22-19(18)23-16-5-7-17(8-6-16)25-11-4-12-29(25,27)28/h5-8,13-14H,1-4,9-12H2,(H,22,23)
InChIKeyWICCSHTXXSHJNL-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.64
Rot. Bonds4

About [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56584778) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56584778
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.95 g/mol
Exact Mass434.12
IUPAC Name[5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(N3CCCS3(=O)=O)cc2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C20H23ClN4O3S/c21-18-13-15(20(26)24-9-2-1-3-10-24)14-22-19(18)23-16-5-7-17(8-6-16)25-11-4-12-29(25,27)28/h5-8,13-14H,1-4,9-12H2,(H,22,23)
InChIKeyWICCSHTXXSHJNL-UHFFFAOYSA-N
XLogP3.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one
CID 56584943
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
N-(3-chloro-4-methylphenyl)-4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazine-1-carboxamide
CID 55971238
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 24523242
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone
CID 23725539
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250070
ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone
CID 163260959
[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133376285
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 56584778) is [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(Nc2ccc(N3CCCS3(=O)=O)cc2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is WICCSHTXXSHJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c21-18-13-15(20(26)24-9-2-1-3-10-24)14-22-19(18)23-16-5-7-17(8-6-16)25-11-4-12-29(25,27)28/h5-8,13-14H,1-4,9-12H2,(H,22,23).
What are the key properties of [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 434.95 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56584778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).