2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide

C21H21N5O2S — CID 171355691

IUPAC2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CSc2nnc(CCCc3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C21H21N5O2S/c1-14-9-10-22-18(11-14)24-19(27)13-29-21-26-25-20(28-21)8-4-5-15-12-23-17-7-3-2-6-16(15)17/h2-3,6-7,9-12,23H,4-5,8,13H2,1H3,(H,22,24,27)
InChIKeyQNPIDTIJYWAOAU-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.16
Rot. Bonds8

About 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide

2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 171355691) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID171355691
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CSc2nnc(CCCc3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C21H21N5O2S/c1-14-9-10-22-18(11-14)24-19(27)13-29-21-26-25-20(28-21)8-4-5-15-12-23-17-7-3-2-6-16(15)17/h2-3,6-7,9-12,23H,4-5,8,13H2,1H3,(H,22,24,27)
InChIKeyQNPIDTIJYWAOAU-UHFFFAOYSA-N
XLogP4.16
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide (CID 171355691) is 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CSc2nnc(CCCc3c[nH]c4ccccc34)o2)c1.
What is the InChIKey of 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is QNPIDTIJYWAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-14-9-10-22-18(11-14)24-19(27)13-29-21-26-25-20(28-21)8-4-5-15-12-23-17-7-3-2-6-16(15)17/h2-3,6-7,9-12,23H,4-5,8,13H2,1H3,(H,22,24,27).
What are the key properties of 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 407.50 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 171355691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).