6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C16H23N5OS — CID 133339930

IUPAC6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(CCC(C)(C)C)Nc1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C16H23N5OS/c1-11(7-8-16(2,3)4)19-13-6-5-12(9-17-13)14(22)20-15-21-18-10-23-15/h5-6,9-11H,7-8H2,1-4H3,(H,17,19)(H,20,21,22)
InChIKeyYQBMWMOUAVKJCB-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.81
Rot. Bonds6

About 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339930) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339930
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(CCC(C)(C)C)Nc1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C16H23N5OS/c1-11(7-8-16(2,3)4)19-13-6-5-12(9-17-13)14(22)20-15-21-18-10-23-15/h5-6,9-11H,7-8H2,1-4H3,(H,17,19)(H,20,21,22)
InChIKeyYQBMWMOUAVKJCB-UHFFFAOYSA-N
XLogP3.81
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
(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
6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133328992
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133380786
6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339849
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340068
6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340163
6-[[naphthalen-1-yl(phenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339261
6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133346016

Frequently Asked Questions

What is the IUPAC name of 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339930) is 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC(CCC(C)(C)C)Nc1ccc(C(=O)Nc2nncs2)cn1.
What is the InChIKey of 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is YQBMWMOUAVKJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11(7-8-16(2,3)4)19-13-6-5-12(9-17-13)14(22)20-15-21-18-10-23-15/h5-6,9-11H,7-8H2,1-4H3,(H,17,19)(H,20,21,22).
What are the key properties of 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).