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

C14H9ClFN3OS — CID 16762341

IUPAC3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncccc12
InChIInChI=1S/C14H9ClFN3OS/c15-9-6-7(3-4-10(9)16)19-13(20)12-11(17)8-2-1-5-18-14(8)21-12/h1-6H,17H2,(H,19,20)
InChIKeyDYNBPMKZYBFMSF-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.92
Rot. Bonds2

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

3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 16762341) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID16762341
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC Name3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncccc12
InChIInChI=1S/C14H9ClFN3OS/c15-9-6-7(3-4-10(9)16)19-13(20)12-11(17)8-2-1-5-18-14(8)21-12/h1-6H,17H2,(H,19,20)
InChIKeyDYNBPMKZYBFMSF-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50838618
3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282
3-amino-N-(2,3,4-trifluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316323
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162873
3-amino-N-(4-chlorophenyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112776
N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316370
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898502
N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide
CID 3751364

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 16762341) is 3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncccc12.
What is the InChIKey of 3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DYNBPMKZYBFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-9-6-7(3-4-10(9)16)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-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 16762341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).