N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide

C18H14N2O3S — CID 53149666

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccsc2)nc1
InChIInChI=1S/C18H14N2O3S/c21-18(12-1-3-15(19-10-12)13-5-8-24-11-13)20-14-2-4-16-17(9-14)23-7-6-22-16/h1-5,8-11H,6-7H2,(H,20,21)
InChIKeyMBWFXOHDUVPGIQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.83
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 53149666) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID53149666
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccsc2)nc1
InChIInChI=1S/C18H14N2O3S/c21-18(12-1-3-15(19-10-12)13-5-8-24-11-13)20-14-2-4-16-17(9-14)23-7-6-22-16/h1-5,8-11H,6-7H2,(H,20,21)
InChIKeyMBWFXOHDUVPGIQ-UHFFFAOYSA-N
XLogP3.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide (CID 53149666) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccsc2)nc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is MBWFXOHDUVPGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-18(12-1-3-15(19-10-12)13-5-8-24-11-13)20-14-2-4-16-17(9-14)23-7-6-22-16/h1-5,8-11H,6-7H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 53149666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).