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

C19H21N3O2S — CID 46884358

IUPAC3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(CC3CCCCC3)cc(-c3ccco3)c2c1N
InChIInChI=1S/C19H21N3O2S/c20-16-15-13(14-7-4-8-24-14)10-12(9-11-5-2-1-3-6-11)22-19(15)25-17(16)18(21)23/h4,7-8,10-11H,1-3,5-6,9,20H2,(H2,21,23)
InChIKeyLXLJXSRRBGCWEF-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.36
Rot. Bonds4

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

3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 46884358) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID46884358
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(CC3CCCCC3)cc(-c3ccco3)c2c1N
InChIInChI=1S/C19H21N3O2S/c20-16-15-13(14-7-4-8-24-14)10-12(9-11-5-2-1-3-6-11)22-19(15)25-17(16)18(21)23/h4,7-8,10-11H,1-3,5-6,9,20H2,(H2,21,23)
InChIKeyLXLJXSRRBGCWEF-UHFFFAOYSA-N
XLogP4.36
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 46884358) is 3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(CC3CCCCC3)cc(-c3ccco3)c2c1N.
What is the InChIKey of 3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LXLJXSRRBGCWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c20-16-15-13(14-7-4-8-24-14)10-12(9-11-5-2-1-3-6-11)22-19(15)25-17(16)18(21)23/h4,7-8,10-11H,1-3,5-6,9,20H2,(H2,21,23).
What are the key properties of 3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46884358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).