3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

C14H9F2N3OS — CID 16762738

IUPAC3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2F)sc2ncccc12
InChIInChI=1S/C14H9F2N3OS/c15-7-3-4-10(9(16)6-7)19-13(20)12-11(17)8-2-1-5-18-14(8)21-12/h1-6H,17H2,(H,19,20)
InChIKeyDQTPQZQIEFDKPH-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.41
Rot. Bonds2

About 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 16762738) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID16762738
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2F)sc2ncccc12
InChIInChI=1S/C14H9F2N3OS/c15-7-3-4-10(9(16)6-7)19-13(20)12-11(17)8-2-1-5-18-14(8)21-12/h1-6H,17H2,(H,19,20)
InChIKeyDQTPQZQIEFDKPH-UHFFFAOYSA-N
XLogP3.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 16762738) is 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(F)cc2F)sc2ncccc12.
What is the InChIKey of 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DQTPQZQIEFDKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c15-7-3-4-10(9(16)6-7)19-13(20)12-11(17)8-2-1-5-18-14(8)21-12/h1-6H,17H2,(H,19,20).
What are the key properties of 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 16762738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).