7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid

C19H12N2O3S — CID 141462588

IUPAC7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid
SMILESNC(=O)c1ccc(-c2cncc3cc(C(=O)O)sc23)c2ccccc12
InChIInChI=1S/C19H12N2O3S/c20-18(22)14-6-5-13(11-3-1-2-4-12(11)14)15-9-21-8-10-7-16(19(23)24)25-17(10)15/h1-9H,(H2,20,22)(H,23,24)
InChIKeyJUZUJGIPXKJCBF-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.91
Rot. Bonds3

About 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid

7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 141462588) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID141462588
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC Name7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid
SMILESNC(=O)c1ccc(-c2cncc3cc(C(=O)O)sc23)c2ccccc12
InChIInChI=1S/C19H12N2O3S/c20-18(22)14-6-5-13(11-3-1-2-4-12(11)14)15-9-21-8-10-7-16(19(23)24)25-17(10)15/h1-9H,(H2,20,22)(H,23,24)
InChIKeyJUZUJGIPXKJCBF-UHFFFAOYSA-N
XLogP3.91
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid (CID 141462588) is 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid is NC(=O)c1ccc(-c2cncc3cc(C(=O)O)sc23)c2ccccc12.
What is the InChIKey of 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is JUZUJGIPXKJCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3S/c20-18(22)14-6-5-13(11-3-1-2-4-12(11)14)15-9-21-8-10-7-16(19(23)24)25-17(10)15/h1-9H,(H2,20,22)(H,23,24).
What are the key properties of 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid?
7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 348.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbamoylnaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 141462588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).