6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C20H20ClN5O2S — CID 133339153

IUPAC6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(N2CCC(C(O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C20H20ClN5O2S/c21-16-4-1-13(2-5-16)18(27)14-7-9-26(10-8-14)17-6-3-15(11-22-17)19(28)24-20-25-23-12-29-20/h1-6,11-12,14,18,27H,7-10H2,(H,24,25,28)
InChIKeyFOITUSCADMMMFK-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.79
Rot. Bonds5

About 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339153) has the molecular formula C20H20ClN5O2S and a molecular weight of 429.93 g/mol. Its IUPAC name is 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339153
Molecular FormulaC20H20ClN5O2S
Molecular Weight429.93 g/mol
Exact Mass429.10
IUPAC Name6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(N2CCC(C(O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C20H20ClN5O2S/c21-16-4-1-13(2-5-16)18(27)14-7-9-26(10-8-14)17-6-3-15(11-22-17)19(28)24-20-25-23-12-29-20/h1-6,11-12,14,18,27H,7-10H2,(H,24,25,28)
InChIKeyFOITUSCADMMMFK-UHFFFAOYSA-N
XLogP3.79
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-tert-butylazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339739
6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339095
6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329677
6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253
6-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339748
6-(2,3-dimethylpyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133357725
6-[3-(butanoylamino)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133354793
6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133364406
6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329585
6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340439
6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133487127
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133444390

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339153) is 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(N2CCC(C(O)c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is FOITUSCADMMMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2S/c21-16-4-1-13(2-5-16)18(27)14-7-9-26(10-8-14)17-6-3-15(11-22-17)19(28)24-20-25-23-12-29-20/h1-6,11-12,14,18,27H,7-10H2,(H,24,25,28).
What are the key properties of 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).