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

C21H18N4O2S — CID 5087967

IUPAC3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1cccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c1
InChIInChI=1S/C21H18N4O2S/c1-2-27-15-5-3-4-14(12-15)24-20(26)19-18(22)16-6-7-17(25-21(16)28-19)13-8-10-23-11-9-13/h3-12H,2,22H2,1H3,(H,24,26)
InChIKeyZGOOCNWATOPBDZ-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.59
Rot. Bonds5

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

3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 5087967) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID5087967
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1cccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c1
InChIInChI=1S/C21H18N4O2S/c1-2-27-15-5-3-4-14(12-15)24-20(26)19-18(22)16-6-7-17(25-21(16)28-19)13-8-10-23-11-9-13/h3-12H,2,22H2,1H3,(H,24,26)
InChIKeyZGOOCNWATOPBDZ-UHFFFAOYSA-N
XLogP4.59
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 5087967) is 3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is CCOc1cccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c1.
What is the InChIKey of 3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZGOOCNWATOPBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-2-27-15-5-3-4-14(12-15)24-20(26)19-18(22)16-6-7-17(25-21(16)28-19)13-8-10-23-11-9-13/h3-12H,2,22H2,1H3,(H,24,26).
What are the key properties of 3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 5087967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).