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

C18H14N4O2S — CID 1086320

IUPAC3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C18H14N4O2S/c19-15-13-3-4-14(11-5-7-20-8-6-11)22-18(13)25-16(15)17(23)21-10-12-2-1-9-24-12/h1-9H,10,19H2,(H,21,23)
InChIKeyVDKVJIQMPGDETJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.46
Rot. Bonds4

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

3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086320) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086320
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C18H14N4O2S/c19-15-13-3-4-14(11-5-7-20-8-6-11)22-18(13)25-16(15)17(23)21-10-12-2-1-9-24-12/h1-9H,10,19H2,(H,21,23)
InChIKeyVDKVJIQMPGDETJ-UHFFFAOYSA-N
XLogP3.46
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1086320) is 3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCc2ccco2)sc2nc(-c3ccncc3)ccc12.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VDKVJIQMPGDETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c19-15-13-3-4-14(11-5-7-20-8-6-11)22-18(13)25-16(15)17(23)21-10-12-2-1-9-24-12/h1-9H,10,19H2,(H,21,23).
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).