6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid

C19H16N2O3 — CID 139213290

IUPAC6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid
SMILESCCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1
InChIInChI=1S/C19H16N2O3/c1-2-20-18(22)16-10-13(11-17(21-16)19(23)24)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3,(H,20,22)(H,23,24)
InChIKeyUZZKGESCGNJMQT-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.35
Rot. Bonds4

About 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid

6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid (PubChem CID 139213290) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid
PubChem CID139213290
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid
SMILESCCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1
InChIInChI=1S/C19H16N2O3/c1-2-20-18(22)16-10-13(11-17(21-16)19(23)24)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3,(H,20,22)(H,23,24)
InChIKeyUZZKGESCGNJMQT-UHFFFAOYSA-N
XLogP3.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid?
The IUPAC name of 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid (CID 139213290) is 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid is CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.
What is the InChIKey of 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid?
The InChIKey is UZZKGESCGNJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-20-18(22)16-10-13(11-17(21-16)19(23)24)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid?
6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 139213290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).