(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone

C15H13N3OS — CID 155544229

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1
InChIInChI=1S/C15H13N3OS/c1-8-7-9(2)18-15-11(8)12(16)14(20-15)13(19)10-3-5-17-6-4-10/h3-7H,16H2,1-2H3
InChIKeyNWKOPKQTNBRZJB-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.12
Rot. Bonds2

About (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone (PubChem CID 155544229) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone
PubChem CID155544229
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1
InChIInChI=1S/C15H13N3OS/c1-8-7-9(2)18-15-11(8)12(16)14(20-15)13(19)10-3-5-17-6-4-10/h3-7H,16H2,1-2H3
InChIKeyNWKOPKQTNBRZJB-UHFFFAOYSA-N
XLogP3.12
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone (CID 155544229) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone is Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1.
What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone?
The InChIKey is NWKOPKQTNBRZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-8-7-9(2)18-15-11(8)12(16)14(20-15)13(19)10-3-5-17-6-4-10/h3-7H,16H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone has a molecular weight of 283.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 155544229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).