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

C12H18N2OS — CID 53014813

IUPAC7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)N(C)CCC2
InChIInChI=1S/C12H18N2OS/c1-3-6-13-11(15)10-8-9-5-4-7-14(2)12(9)16-10/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyYERDIFOBQHUURZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.27
Rot. Bonds3

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

7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 53014813) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID53014813
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)N(C)CCC2
InChIInChI=1S/C12H18N2OS/c1-3-6-13-11(15)10-8-9-5-4-7-14(2)12(9)16-10/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyYERDIFOBQHUURZ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 53014813) is 7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is CCCNC(=O)c1cc2c(s1)N(C)CCC2.
What is the InChIKey of 7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YERDIFOBQHUURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-6-13-11(15)10-8-9-5-4-7-14(2)12(9)16-10/h8H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53014813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).