6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C22H17N5O2S — CID 121407748

IUPAC6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1ccc(OC2CCc3ccccc32)nc1
InChIInChI=1S/C22H17N5O2S/c28-20(25-22-27-26-21(30-22)15-9-11-23-12-10-15)16-6-8-19(24-13-16)29-18-7-5-14-3-1-2-4-17(14)18/h1-4,6,8-13,18H,5,7H2,(H,25,27,28)
InChIKeyDNZGGFALTTVFJM-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.31
Rot. Bonds5

About 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121407748) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID121407748
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC Name6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1ccc(OC2CCc3ccccc32)nc1
InChIInChI=1S/C22H17N5O2S/c28-20(25-22-27-26-21(30-22)15-9-11-23-12-10-15)16-6-8-19(24-13-16)29-18-7-5-14-3-1-2-4-17(14)18/h1-4,6,8-13,18H,5,7H2,(H,25,27,28)
InChIKeyDNZGGFALTTVFJM-UHFFFAOYSA-N
XLogP4.31
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 121407748) is 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(OC2CCc3ccccc32)nc1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is DNZGGFALTTVFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c28-20(25-22-27-26-21(30-22)15-9-11-23-12-10-15)16-6-8-19(24-13-16)29-18-7-5-14-3-1-2-4-17(14)18/h1-4,6,8-13,18H,5,7H2,(H,25,27,28).
What are the key properties of 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-1-yloxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121407748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).