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

C18H25N7OS — CID 133329677

IUPAC6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCN1CCN(C2CCN(c3ccc(C(=O)Nc4nncs4)cn3)C2)CC1
InChIInChI=1S/C18H25N7OS/c1-2-23-7-9-24(10-8-23)15-5-6-25(12-15)16-4-3-14(11-19-16)17(26)21-18-22-20-13-27-18/h3-4,11,13,15H,2,5-10,12H2,1H3,(H,21,22,26)
InChIKeyQTMANPKHDRFJHS-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.40
Rot. Bonds5

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

6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133329677) has the molecular formula C18H25N7OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133329677
Molecular FormulaC18H25N7OS
Molecular Weight387.51 g/mol
Exact Mass387.18
IUPAC Name6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCN1CCN(C2CCN(c3ccc(C(=O)Nc4nncs4)cn3)C2)CC1
InChIInChI=1S/C18H25N7OS/c1-2-23-7-9-24(10-8-23)15-5-6-25(12-15)16-4-3-14(11-19-16)17(26)21-18-22-20-13-27-18/h3-4,11,13,15H,2,5-10,12H2,1H3,(H,21,22,26)
InChIKeyQTMANPKHDRFJHS-UHFFFAOYSA-N
XLogP1.40
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[3-(butanoylamino)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133354793
6-(4-tert-butylazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339739
6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253
6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329585
6-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339748
6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339095
6-(2,3-dimethylpyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133357725
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339153
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133444390
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-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340439
1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine
CID 133292793

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133329677) is 6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCN1CCN(C2CCN(c3ccc(C(=O)Nc4nncs4)cn3)C2)CC1.
What is the InChIKey of 6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QTMANPKHDRFJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7OS/c1-2-23-7-9-24(10-8-23)15-5-6-25(12-15)16-4-3-14(11-19-16)17(26)21-18-22-20-13-27-18/h3-4,11,13,15H,2,5-10,12H2,1H3,(H,21,22,26).
What are the key properties of 6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133329677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).