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

C19H13N3OS — CID 16644513

IUPAC(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone
SMILESNc1c(C(=O)c2ccccn2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C19H13N3OS/c20-16-13-9-10-14(12-6-2-1-3-7-12)22-19(13)24-18(16)17(23)15-8-4-5-11-21-15/h1-11H,20H2
InChIKeyZLBJOZRCYWLHNB-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.17
Rot. Bonds3

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

(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone (PubChem CID 16644513) has the molecular formula C19H13N3OS and a molecular weight of 331.40 g/mol. Its IUPAC name is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone
PubChem CID16644513
Molecular FormulaC19H13N3OS
Molecular Weight331.40 g/mol
Exact Mass331.08
IUPAC Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone
SMILESNc1c(C(=O)c2ccccn2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C19H13N3OS/c20-16-13-9-10-14(12-6-2-1-3-7-12)22-19(13)24-18(16)17(23)15-8-4-5-11-21-15/h1-11H,20H2
InChIKeyZLBJOZRCYWLHNB-UHFFFAOYSA-N
XLogP4.17
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone?
The IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone (CID 16644513) is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone is Nc1c(C(=O)c2ccccn2)sc2nc(-c3ccccc3)ccc12.
What is the InChIKey of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone?
The InChIKey is ZLBJOZRCYWLHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3OS/c20-16-13-9-10-14(12-6-2-1-3-7-12)22-19(13)24-18(16)17(23)15-8-4-5-11-21-15/h1-11H,20H2.
What are the key properties of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone?
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone has a molecular weight of 331.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 16644513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).