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

C15H15N3O2S — CID 734374

IUPAC3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccco3)sc2n1
InChIInChI=1S/C15H15N3O2S/c1-8-6-9(2)18-15-11(8)12(16)13(21-15)14(19)17-7-10-4-3-5-20-10/h3-6H,7,16H2,1-2H3,(H,17,19)
InChIKeyXTLOKLFSWDKPNP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.02
Rot. Bonds3

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

3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 734374) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID734374
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccco3)sc2n1
InChIInChI=1S/C15H15N3O2S/c1-8-6-9(2)18-15-11(8)12(16)13(21-15)14(19)17-7-10-4-3-5-20-10/h3-6H,7,16H2,1-2H3,(H,17,19)
InChIKeyXTLOKLFSWDKPNP-UHFFFAOYSA-N
XLogP3.02
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 734374) is 3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NCc3ccco3)sc2n1.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XTLOKLFSWDKPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-8-6-9(2)18-15-11(8)12(16)13(21-15)14(19)17-7-10-4-3-5-20-10/h3-6H,7,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 734374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).