5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide

C17H19N3OS — CID 53191398

IUPAC5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)n1cc2cc(C(=O)NCCc3ccncc3)sc2c1
InChIInChI=1S/C17H19N3OS/c1-12(2)20-10-14-9-15(22-16(14)11-20)17(21)19-8-5-13-3-6-18-7-4-13/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,19,21)
InChIKeyZXZRODWWTQXQMH-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.65
Rot. Bonds5

About 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide

5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53191398) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53191398
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)n1cc2cc(C(=O)NCCc3ccncc3)sc2c1
InChIInChI=1S/C17H19N3OS/c1-12(2)20-10-14-9-15(22-16(14)11-20)17(21)19-8-5-13-3-6-18-7-4-13/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,19,21)
InChIKeyZXZRODWWTQXQMH-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide (CID 53191398) is 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide is CC(C)n1cc2cc(C(=O)NCCc3ccncc3)sc2c1.
What is the InChIKey of 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is ZXZRODWWTQXQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12(2)20-10-14-9-15(22-16(14)11-20)17(21)19-8-5-13-3-6-18-7-4-13/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,19,21).
What are the key properties of 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide?
5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53191398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).