6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C22H18N8OS — CID 133343172

IUPAC6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESN#Cc1cnc2ccccc2c1N1CCN(c2ccc(C(=O)Nc3nncs3)cn2)CC1
InChIInChI=1S/C22H18N8OS/c23-11-16-13-24-18-4-2-1-3-17(18)20(16)30-9-7-29(8-10-30)19-6-5-15(12-25-19)21(31)27-22-28-26-14-32-22/h1-6,12-14H,7-10H2,(H,27,28,31)
InChIKeyDGRXHSXYOAZFPC-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.93
Rot. Bonds4

About 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133343172) has the molecular formula C22H18N8OS and a molecular weight of 442.51 g/mol. Its IUPAC name is 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133343172
Molecular FormulaC22H18N8OS
Molecular Weight442.51 g/mol
Exact Mass442.13
IUPAC Name6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESN#Cc1cnc2ccccc2c1N1CCN(c2ccc(C(=O)Nc3nncs3)cn2)CC1
InChIInChI=1S/C22H18N8OS/c23-11-16-13-24-18-4-2-1-3-17(18)20(16)30-9-7-29(8-10-30)19-6-5-15(12-25-19)21(31)27-22-28-26-14-32-22/h1-6,12-14H,7-10H2,(H,27,28,31)
InChIKeyDGRXHSXYOAZFPC-UHFFFAOYSA-N
XLogP2.93
TPSA110.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133300354
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-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329443
6-(4-tert-butylazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339739
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 43669154
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656
6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339153
4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133469371
6-(2,3-dimethylpyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133357725
6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339849
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133343172) is 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is N#Cc1cnc2ccccc2c1N1CCN(c2ccc(C(=O)Nc3nncs3)cn2)CC1.
What is the InChIKey of 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is DGRXHSXYOAZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8OS/c23-11-16-13-24-18-4-2-1-3-17(18)20(16)30-9-7-29(8-10-30)19-6-5-15(12-25-19)21(31)27-22-28-26-14-32-22/h1-6,12-14H,7-10H2,(H,27,28,31).
What are the key properties of 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133343172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).