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

C17H19FN2OS — CID 53165467

IUPAC7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN1CCCc2cc(C(=O)NCc3cccc(F)c3)sc21
InChIInChI=1S/C17H19FN2OS/c1-2-20-8-4-6-13-10-15(22-17(13)20)16(21)19-11-12-5-3-7-14(18)9-12/h3,5,7,9-10H,2,4,6,8,11H2,1H3,(H,19,21)
InChIKeySWJWIVGLLUPWPF-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.59
Rot. Bonds4

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

7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 53165467) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID53165467
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN1CCCc2cc(C(=O)NCc3cccc(F)c3)sc21
InChIInChI=1S/C17H19FN2OS/c1-2-20-8-4-6-13-10-15(22-17(13)20)16(21)19-11-12-5-3-7-14(18)9-12/h3,5,7,9-10H,2,4,6,8,11H2,1H3,(H,19,21)
InChIKeySWJWIVGLLUPWPF-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 53165467) is 7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is CCN1CCCc2cc(C(=O)NCc3cccc(F)c3)sc21.
What is the InChIKey of 7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SWJWIVGLLUPWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-2-20-8-4-6-13-10-15(22-17(13)20)16(21)19-11-12-5-3-7-14(18)9-12/h3,5,7,9-10H,2,4,6,8,11H2,1H3,(H,19,21).
What are the key properties of 7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-[(3-fluorophenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53165467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).