N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C20H20N2O3S — CID 41358726

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2n1
InChIInChI=1S/C20H20N2O3S/c1-11-8-12(2)22-20-17(11)13(3)18(26-20)19(23)21-10-14-4-5-15-16(9-14)25-7-6-24-15/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,23)
InChIKeyMNPAUPZTLSHYKE-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.92
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 41358726) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID41358726
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2n1
InChIInChI=1S/C20H20N2O3S/c1-11-8-12(2)22-20-17(11)13(3)18(26-20)19(23)21-10-14-4-5-15-16(9-14)25-7-6-24-15/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,23)
InChIKeyMNPAUPZTLSHYKE-UHFFFAOYSA-N
XLogP3.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.92
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-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 41358726) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MNPAUPZTLSHYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-11-8-12(2)22-20-17(11)13(3)18(26-20)19(23)21-10-14-4-5-15-16(9-14)25-7-6-24-15/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.92, 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-ylmethyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 41358726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).