6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C21H21N5OS — CID 133444390

IUPAC6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCc1ccc(C2=CCN(c3ccc(C(=O)Nc4nncs4)cn3)CC2)cc1
InChIInChI=1S/C21H21N5OS/c1-2-15-3-5-16(6-4-15)17-9-11-26(12-10-17)19-8-7-18(13-22-19)20(27)24-21-25-23-14-28-21/h3-9,13-14H,2,10-12H2,1H3,(H,24,25,27)
InChIKeyCHDMFPOROIEUNZ-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.04
Rot. Bonds5

About 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133444390) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133444390
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCc1ccc(C2=CCN(c3ccc(C(=O)Nc4nncs4)cn3)CC2)cc1
InChIInChI=1S/C21H21N5OS/c1-2-15-3-5-16(6-4-15)17-9-11-26(12-10-17)19-8-7-18(13-22-19)20(27)24-21-25-23-14-28-21/h3-9,13-14H,2,10-12H2,1H3,(H,24,25,27)
InChIKeyCHDMFPOROIEUNZ-UHFFFAOYSA-N
XLogP4.04
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329677
6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329585
6-(4-tert-butylazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339739
6-(2,3-dimethylpyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133357725
6-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329443
6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339095
6-[3-(butanoylamino)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133354793
6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253
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-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-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339748
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339153

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133444390) is 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCc1ccc(C2=CCN(c3ccc(C(=O)Nc4nncs4)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is CHDMFPOROIEUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-2-15-3-5-16(6-4-15)17-9-11-26(12-10-17)19-8-7-18(13-22-19)20(27)24-21-25-23-14-28-21/h3-9,13-14H,2,10-12H2,1H3,(H,24,25,27).
What are the key properties of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133444390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).