4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid

C15H12N2O2S — CID 53324594

IUPAC4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCN(c1ccccc1)c1nc(C(=O)O)cc2sccc12
InChIInChI=1S/C15H12N2O2S/c1-17(10-5-3-2-4-6-10)14-11-7-8-20-13(11)9-12(16-14)15(18)19/h2-9H,1H3,(H,18,19)
InChIKeyDBBNKJMHPCUHKX-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.76
Rot. Bonds3

About 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid

4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 53324594) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID53324594
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCN(c1ccccc1)c1nc(C(=O)O)cc2sccc12
InChIInChI=1S/C15H12N2O2S/c1-17(10-5-3-2-4-6-10)14-11-7-8-20-13(11)9-12(16-14)15(18)19/h2-9H,1H3,(H,18,19)
InChIKeyDBBNKJMHPCUHKX-UHFFFAOYSA-N
XLogP3.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-Ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]indol-1-yl]pyridine-2-carboxylic acid
CID 25024650
4-(3-Chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53316657
4-Anilinothieno[3,2-c]pyridine-6-carboxylic acid
CID 53317960
4-[3-(Methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid
CID 53317962
4-[2-(Dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid
CID 53320598
4-(2-Methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53320599
4-(3-Methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53321671
4-(3-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323250
4-(3-Ethynylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323251
4-(4-Chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53324596
4-(2-Phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325334
4-(4-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325886

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid (CID 53324594) is 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid is CN(c1ccccc1)c1nc(C(=O)O)cc2sccc12.
What is the InChIKey of 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is DBBNKJMHPCUHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-17(10-5-3-2-4-6-10)14-11-7-8-20-13(11)9-12(16-14)15(18)19/h2-9H,1H3,(H,18,19).
What are the key properties of 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 53324594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).