6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C20H24N8OS — CID 133339849

IUPAC6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C20H24N8OS/c1-15(13-27-8-10-28(11-9-27)18-4-2-3-7-21-18)24-17-6-5-16(12-22-17)19(29)25-20-26-23-14-30-20/h2-7,12,14-15H,8-11,13H2,1H3,(H,22,24)(H,25,26,29)
InChIKeyQLLREMCMETWNQS-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.20
Rot. Bonds7

About 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339849) has the molecular formula C20H24N8OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339849
Molecular FormulaC20H24N8OS
Molecular Weight424.53 g/mol
Exact Mass424.18
IUPAC Name6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C20H24N8OS/c1-15(13-27-8-10-28(11-9-27)18-4-2-3-7-21-18)24-17-6-5-16(12-22-17)19(29)25-20-26-23-14-30-20/h2-7,12,14-15H,8-11,13H2,1H3,(H,22,24)(H,25,26,29)
InChIKeyQLLREMCMETWNQS-UHFFFAOYSA-N
XLogP2.20
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
(2S,3S)-3-methyl-2-[[5-(1,3,4-thiadiazol-2-ylcarbamoyl)-2-pyridinyl]amino]pentanoic acid
CID 122050446
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
CID 133307208
6-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329443
6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329498
6-[[naphthalen-1-yl(phenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339261

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339849) is 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC(CN1CCN(c2ccccn2)CC1)Nc1ccc(C(=O)Nc2nncs2)cn1.
What is the InChIKey of 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QLLREMCMETWNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS/c1-15(13-27-8-10-28(11-9-27)18-4-2-3-7-21-18)24-17-6-5-16(12-22-17)19(29)25-20-26-23-14-30-20/h2-7,12,14-15H,8-11,13H2,1H3,(H,22,24)(H,25,26,29).
What are the key properties of 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).