N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide

C23H20N6O2S — CID 167828732

IUPACN-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide
SMILESCc1nnc2ccc(-c3noc(-c4cccc(NC(=O)CCCc5cccs5)c4)n3)cn12
InChIInChI=1S/C23H20N6O2S/c1-15-26-27-20-11-10-17(14-29(15)20)22-25-23(31-28-22)16-5-2-6-18(13-16)24-21(30)9-3-7-19-8-4-12-32-19/h2,4-6,8,10-14H,3,7,9H2,1H3,(H,24,30)
InChIKeyQZZCLPAWPWWRSV-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.78
Rot. Bonds7

About N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide

N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 167828732) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide
PubChem CID167828732
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC NameN-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide
SMILESCc1nnc2ccc(-c3noc(-c4cccc(NC(=O)CCCc5cccs5)c4)n3)cn12
InChIInChI=1S/C23H20N6O2S/c1-15-26-27-20-11-10-17(14-29(15)20)22-25-23(31-28-22)16-5-2-6-18(13-16)24-21(30)9-3-7-19-8-4-12-32-19/h2,4-6,8,10-14H,3,7,9H2,1H3,(H,24,30)
InChIKeyQZZCLPAWPWWRSV-UHFFFAOYSA-N
XLogP4.78
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide with MolForge

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Related Compounds

N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-[3-[3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53173201
2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 53179572
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybutanamide
CID 39853089
(2S)-2-[[3-(4-thiophen-2-ylbutanoylamino)benzoyl]amino]propanoic acid
CID 119238490
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55965735

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide (CID 167828732) is N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide is Cc1nnc2ccc(-c3noc(-c4cccc(NC(=O)CCCc5cccs5)c4)n3)cn12.
What is the InChIKey of N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is QZZCLPAWPWWRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-15-26-27-20-11-10-17(14-29(15)20)22-25-23(31-28-22)16-5-2-6-18(13-16)24-21(30)9-3-7-19-8-4-12-32-19/h2,4-6,8,10-14H,3,7,9H2,1H3,(H,24,30).
What are the key properties of N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide?
N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 444.52 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 167828732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).