3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

C20H16N4OS — CID 1086314

IUPAC3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1
InChIInChI=1S/C20H16N4OS/c1-12-2-4-14(5-3-12)23-19(25)18-17(21)15-6-7-16(24-20(15)26-18)13-8-10-22-11-9-13/h2-11H,21H2,1H3,(H,23,25)
InChIKeyFXGRIHXUIMOIJL-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.50
Rot. Bonds3

About 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086314) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086314
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1
InChIInChI=1S/C20H16N4OS/c1-12-2-4-14(5-3-12)23-19(25)18-17(21)15-6-7-16(24-20(15)26-18)13-8-10-22-11-9-13/h2-11H,21H2,1H3,(H,23,25)
InChIKeyFXGRIHXUIMOIJL-UHFFFAOYSA-N
XLogP4.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1086314) is 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1.
What is the InChIKey of 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FXGRIHXUIMOIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-12-2-4-14(5-3-12)23-19(25)18-17(21)15-6-7-16(24-20(15)26-18)13-8-10-22-11-9-13/h2-11H,21H2,1H3,(H,23,25).
What are the key properties of 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).