5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

C15H14N2O4 — CID 15121179

IUPAC5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-12-6-4-11(5-7-12)17-14(18)10-3-8-13(15(19)20)16-9-10/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyYJRFSGBALGYJAS-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.43
Rot. Bonds5

About 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 15121179) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID15121179
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-12-6-4-11(5-7-12)17-14(18)10-3-8-13(15(19)20)16-9-10/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyYJRFSGBALGYJAS-UHFFFAOYSA-N
XLogP2.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 15121179) is 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is CCOc1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YJRFSGBALGYJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-21-12-6-4-11(5-7-12)17-14(18)10-3-8-13(15(19)20)16-9-10/h3-9H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 15121179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).