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

C15H15N3OS — CID 3237349

IUPAC4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)NCc2ccccn2)cc2sccc21
InChIInChI=1S/C15H15N3OS/c1-2-18-12-6-8-20-14(12)9-13(18)15(19)17-10-11-5-3-4-7-16-11/h3-9H,2,10H2,1H3,(H,17,19)
InChIKeyKCFKYEYUCWTFAQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.05
Rot. Bonds4

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

4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3237349) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3237349
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)NCc2ccccn2)cc2sccc21
InChIInChI=1S/C15H15N3OS/c1-2-18-12-6-8-20-14(12)9-13(18)15(19)17-10-11-5-3-4-7-16-11/h3-9H,2,10H2,1H3,(H,17,19)
InChIKeyKCFKYEYUCWTFAQ-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 3237349) is 4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is CCn1c(C(=O)NCc2ccccn2)cc2sccc21.
What is the InChIKey of 4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KCFKYEYUCWTFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-18-12-6-8-20-14(12)9-13(18)15(19)17-10-11-5-3-4-7-16-11/h3-9H,2,10H2,1H3,(H,17,19).
What are the key properties of 4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3237349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).