3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide

C26H19N3OS — CID 23999219

IUPAC3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C26H19N3OS/c27-23-21-16-17-22(18-10-4-1-5-11-18)28-25(21)31-24(23)26(30)29(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,27H2
InChIKeyJCRJKMADWNNBER-UHFFFAOYSA-N
MW421.53 g/mol
LogP6.52
Rot. Bonds4

About 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23999219) has the molecular formula C26H19N3OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23999219
Molecular FormulaC26H19N3OS
Molecular Weight421.53 g/mol
Exact Mass421.12
IUPAC Name3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C26H19N3OS/c27-23-21-16-17-22(18-10-4-1-5-11-18)28-25(21)31-24(23)26(30)29(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,27H2
InChIKeyJCRJKMADWNNBER-UHFFFAOYSA-N
XLogP6.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.53
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide (CID 23999219) is 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2nc(-c3ccccc3)ccc12.
What is the InChIKey of 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JCRJKMADWNNBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3OS/c27-23-21-16-17-22(18-10-4-1-5-11-18)28-25(21)31-24(23)26(30)29(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,27H2.
What are the key properties of 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23999219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).