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

C12H16N2OS — CID 71686887

IUPACN-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCN1CCCc2cc(C(=O)NC3CC3)sc21
InChIInChI=1S/C12H16N2OS/c1-14-6-2-3-8-7-10(16-12(8)14)11(15)13-9-4-5-9/h7,9H,2-6H2,1H3,(H,13,15)
InChIKeyAFXXCGLKRAUCPY-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.02
Rot. Bonds2

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

N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 71686887) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID71686887
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCN1CCCc2cc(C(=O)NC3CC3)sc21
InChIInChI=1S/C12H16N2OS/c1-14-6-2-3-8-7-10(16-12(8)14)11(15)13-9-4-5-9/h7,9H,2-6H2,1H3,(H,13,15)
InChIKeyAFXXCGLKRAUCPY-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 71686887) is N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is CN1CCCc2cc(C(=O)NC3CC3)sc21.
What is the InChIKey of N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AFXXCGLKRAUCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14-6-2-3-8-7-10(16-12(8)14)11(15)13-9-4-5-9/h7,9H,2-6H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 71686887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).