4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid

C16H13N3O3S — CID 53317962

IUPAC4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCNC(=O)c1cccc(Nc2nc(C(=O)O)cc3sccc23)c1
InChIInChI=1S/C16H13N3O3S/c1-17-15(20)9-3-2-4-10(7-9)18-14-11-5-6-23-13(11)8-12(19-14)16(21)22/h2-8H,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyLPGQIEZBJSQDAW-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.10
Rot. Bonds4

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

4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 53317962) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID53317962
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCNC(=O)c1cccc(Nc2nc(C(=O)O)cc3sccc23)c1
InChIInChI=1S/C16H13N3O3S/c1-17-15(20)9-3-2-4-10(7-9)18-14-11-5-6-23-13(11)8-12(19-14)16(21)22/h2-8H,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyLPGQIEZBJSQDAW-UHFFFAOYSA-N
XLogP3.10
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid (CID 53317962) is 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid is CNC(=O)c1cccc(Nc2nc(C(=O)O)cc3sccc23)c1.
What is the InChIKey of 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is LPGQIEZBJSQDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-17-15(20)9-3-2-4-10(7-9)18-14-11-5-6-23-13(11)8-12(19-14)16(21)22/h2-8H,1H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid?
4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 327.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 53317962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).