N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

C17H13N3O2S — CID 22577889

IUPACN-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1sc2ncccc2c1-n1cccc1
InChIInChI=1S/C17H13N3O2S/c21-16(19-11-12-5-4-10-22-12)15-14(20-8-1-2-9-20)13-6-3-7-18-17(13)23-15/h1-10H,11H2,(H,19,21)
InChIKeyXHLAQIITTDRKNH-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.61
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 22577889) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID22577889
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1sc2ncccc2c1-n1cccc1
InChIInChI=1S/C17H13N3O2S/c21-16(19-11-12-5-4-10-22-12)15-14(20-8-1-2-9-20)13-6-3-7-18-17(13)23-15/h1-10H,11H2,(H,19,21)
InChIKeyXHLAQIITTDRKNH-UHFFFAOYSA-N
XLogP3.61
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 22577889) is N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is O=C(NCc1ccco1)c1sc2ncccc2c1-n1cccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XHLAQIITTDRKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-16(19-11-12-5-4-10-22-12)15-14(20-8-1-2-9-20)13-6-3-7-18-17(13)23-15/h1-10H,11H2,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 22577889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).