3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide

C30H21N3O2S — CID 139267604

IUPAC3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12
InChIInChI=1S/C30H21N3O2S/c31-27-26-23(25-17-10-18-35-25)19-24(20-11-4-1-5-12-20)32-29(26)36-28(27)30(34)33(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19H,31H2
InChIKeyFJAOLFHKVUHMHA-UHFFFAOYSA-N
MW487.58 g/mol
LogP7.78
Rot. Bonds5

About 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 139267604) has the molecular formula C30H21N3O2S and a molecular weight of 487.58 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID139267604
Molecular FormulaC30H21N3O2S
Molecular Weight487.58 g/mol
Exact Mass487.14
IUPAC Name3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12
InChIInChI=1S/C30H21N3O2S/c31-27-26-23(25-17-10-18-35-25)19-24(20-11-4-1-5-12-20)32-29(26)36-28(27)30(34)33(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19H,31H2
InChIKeyFJAOLFHKVUHMHA-UHFFFAOYSA-N
XLogP7.78
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide (CID 139267604) is 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12.
What is the InChIKey of 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FJAOLFHKVUHMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O2S/c31-27-26-23(25-17-10-18-35-25)19-24(20-11-4-1-5-12-20)32-29(26)36-28(27)30(34)33(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19H,31H2.
What are the key properties of 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 7.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 139267604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).