2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide

C16H13FIN3OS — CID 24739364

IUPAC2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C16H13FIN3OS/c1-21(2)16(22)13-10-4-3-7-19-14(10)23-15(13)20-12-6-5-9(18)8-11(12)17/h3-8,20H,1-2H3
InChIKeyBUSQJQCLLZZKOK-UHFFFAOYSA-N
MW441.27 g/mol
LogP4.49
Rot. Bonds3

About 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide

2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide (PubChem CID 24739364) has the molecular formula C16H13FIN3OS and a molecular weight of 441.27 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide
PubChem CID24739364
Molecular FormulaC16H13FIN3OS
Molecular Weight441.27 g/mol
Exact Mass440.98
IUPAC Name2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C16H13FIN3OS/c1-21(2)16(22)13-10-4-3-7-19-14(10)23-15(13)20-12-6-5-9(18)8-11(12)17/h3-8,20H,1-2H3
InChIKeyBUSQJQCLLZZKOK-UHFFFAOYSA-N
XLogP4.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
3-Amino-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide
CID 759785
3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide
CID 1962617
[3-Amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl](phenyl)methanone
CID 794365
9-dimethylamino-3-(p-fluorophenyl)-3H-5-thia-1,3,6-triazafluoren-4-one
CID 11667270
5-(4-Fluorophenyl)-13-(methylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16117168
13-(Cyclopropylamino)-5-(4-methylphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118400
13-(Ethylamino)-5-(4-methylphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118535
13-(Methylamino)-5-(4-methylphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118542
13-(Dimethylamino)-5-(4-fluorophenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118681
5-(4-Fluorophenyl)-13-(prop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585403
3-(4-Fluoro-phenyl)-thieno[2,3-b]pyridin-2-carboxylic acid (4-fluoro-benzyl)-amide
CID 69075091

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide (CID 24739364) is 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide is CN(C)C(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is BUSQJQCLLZZKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FIN3OS/c1-21(2)16(22)13-10-4-3-7-19-14(10)23-15(13)20-12-6-5-9(18)8-11(12)17/h3-8,20H,1-2H3.
What are the key properties of 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 441.27 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 24739364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).