7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C14H22N2OS — CID 53165453

IUPAC7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c(s1)N(C)CCC2
InChIInChI=1S/C14H22N2OS/c1-10(2)6-7-15-13(17)12-9-11-5-4-8-16(3)14(11)18-12/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyGLGDHUDDOCAZDY-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.91
Rot. Bonds4

About 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 53165453) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID53165453
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c(s1)N(C)CCC2
InChIInChI=1S/C14H22N2OS/c1-10(2)6-7-15-13(17)12-9-11-5-4-8-16(3)14(11)18-12/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyGLGDHUDDOCAZDY-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 53165453) is 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is CC(C)CCNC(=O)c1cc2c(s1)N(C)CCC2.
What is the InChIKey of 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GLGDHUDDOCAZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)6-7-15-13(17)12-9-11-5-4-8-16(3)14(11)18-12/h9-10H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-methylbutyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53165453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).