N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C17H13F3N4O3S — CID 86266927

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1noc(-c2c(NC(=O)c3ccc(C(F)(F)F)nc3)sc3c2CCOC3)n1
InChIInChI=1S/C17H13F3N4O3S/c1-8-22-15(27-24-8)13-10-4-5-26-7-11(10)28-16(13)23-14(25)9-2-3-12(21-6-9)17(18,19)20/h2-3,6H,4-5,7H2,1H3,(H,23,25)
InChIKeyIZQIGOORDQJWOA-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.85
Rot. Bonds3

About N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86266927) has the molecular formula C17H13F3N4O3S and a molecular weight of 410.38 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86266927
Molecular FormulaC17H13F3N4O3S
Molecular Weight410.38 g/mol
Exact Mass410.07
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1noc(-c2c(NC(=O)c3ccc(C(F)(F)F)nc3)sc3c2CCOC3)n1
InChIInChI=1S/C17H13F3N4O3S/c1-8-22-15(27-24-8)13-10-4-5-26-7-11(10)28-16(13)23-14(25)9-2-3-12(21-6-9)17(18,19)20/h2-3,6H,4-5,7H2,1H3,(H,23,25)
InChIKeyIZQIGOORDQJWOA-UHFFFAOYSA-N
XLogP3.85
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 86266927) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1noc(-c2c(NC(=O)c3ccc(C(F)(F)F)nc3)sc3c2CCOC3)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IZQIGOORDQJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3S/c1-8-22-15(27-24-8)13-10-4-5-26-7-11(10)28-16(13)23-14(25)9-2-3-12(21-6-9)17(18,19)20/h2-3,6H,4-5,7H2,1H3,(H,23,25).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86266927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).