(3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone

C15H13N3O2S — CID 2990594

IUPAC(3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone
SMILESCCOc1ccnc2sc(C(=O)c3cccnc3)c(N)c12
InChIInChI=1S/C15H13N3O2S/c1-2-20-10-5-7-18-15-11(10)12(16)14(21-15)13(19)9-4-3-6-17-8-9/h3-8H,2,16H2,1H3
InChIKeyPACSQMFRCHYANX-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.90
Rot. Bonds4

About (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone

(3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone (PubChem CID 2990594) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone
PubChem CID2990594
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone
SMILESCCOc1ccnc2sc(C(=O)c3cccnc3)c(N)c12
InChIInChI=1S/C15H13N3O2S/c1-2-20-10-5-7-18-15-11(10)12(16)14(21-15)13(19)9-4-3-6-17-8-9/h3-8H,2,16H2,1H3
InChIKeyPACSQMFRCHYANX-UHFFFAOYSA-N
XLogP2.90
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone (CID 2990594) is (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone is CCOc1ccnc2sc(C(=O)c3cccnc3)c(N)c12.
What is the InChIKey of (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone?
The InChIKey is PACSQMFRCHYANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-10-5-7-18-15-11(10)12(16)14(21-15)13(19)9-4-3-6-17-8-9/h3-8H,2,16H2,1H3.
What are the key properties of (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone?
(3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone has a molecular weight of 299.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-ethoxythieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 2990594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).