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

C22H27FN2OS — CID 20964517

IUPACN-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCCc1c(C)sc2c1CCN(C(=O)NC1CCCC1)C2c1ccc(F)cc1
InChIInChI=1S/C22H27FN2OS/c1-3-18-14(2)27-21-19(18)12-13-25(22(26)24-17-6-4-5-7-17)20(21)15-8-10-16(23)11-9-15/h8-11,17,20H,3-7,12-13H2,1-2H3,(H,24,26)
InChIKeyZDPOTAGGJCVLMY-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.36
Rot. Bonds3

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

N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 20964517) has the molecular formula C22H27FN2OS and a molecular weight of 386.54 g/mol. Its IUPAC name is N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID20964517
Molecular FormulaC22H27FN2OS
Molecular Weight386.54 g/mol
Exact Mass386.18
IUPAC NameN-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCCc1c(C)sc2c1CCN(C(=O)NC1CCCC1)C2c1ccc(F)cc1
InChIInChI=1S/C22H27FN2OS/c1-3-18-14(2)27-21-19(18)12-13-25(22(26)24-17-6-4-5-7-17)20(21)15-8-10-16(23)11-9-15/h8-11,17,20H,3-7,12-13H2,1-2H3,(H,24,26)
InChIKeyZDPOTAGGJCVLMY-UHFFFAOYSA-N
XLogP5.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 20964517) is N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is CCc1c(C)sc2c1CCN(C(=O)NC1CCCC1)C2c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is ZDPOTAGGJCVLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2OS/c1-3-18-14(2)27-21-19(18)12-13-25(22(26)24-17-6-4-5-7-17)20(21)15-8-10-16(23)11-9-15/h8-11,17,20H,3-7,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 20964517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).