2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide

C17H17N3OS — CID 46039393

IUPAC2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCc2ccccn2)cc2sc(C)cc21
InChIInChI=1S/C17H17N3OS/c1-3-8-20-14-9-12(2)22-16(14)10-15(20)17(21)19-11-13-6-4-5-7-18-13/h3-7,9-10H,1,8,11H2,2H3,(H,19,21)
InChIKeyJIQCVFHBSZUHOY-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.52
Rot. Bonds5

About 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide

2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039393) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039393
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCc2ccccn2)cc2sc(C)cc21
InChIInChI=1S/C17H17N3OS/c1-3-8-20-14-9-12(2)22-16(14)10-15(20)17(21)19-11-13-6-4-5-7-18-13/h3-7,9-10H,1,8,11H2,2H3,(H,19,21)
InChIKeyJIQCVFHBSZUHOY-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46039393) is 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is C=CCn1c(C(=O)NCc2ccccn2)cc2sc(C)cc21.
What is the InChIKey of 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is JIQCVFHBSZUHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-8-20-14-9-12(2)22-16(14)10-15(20)17(21)19-11-13-6-4-5-7-18-13/h3-7,9-10H,1,8,11H2,2H3,(H,19,21).
What are the key properties of 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-2-enyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).