6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid

C16H16N2O4 — CID 139213281

IUPAC6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1
InChIInChI=1S/C16H16N2O4/c1-3-17-15(19)13-8-11(9-14(18-13)16(20)21)10-4-6-12(22-2)7-5-10/h4-9H,3H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKZQDRDXFZOTCND-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.21
Rot. Bonds5

About 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid

6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 139213281) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid
PubChem CID139213281
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1
InChIInChI=1S/C16H16N2O4/c1-3-17-15(19)13-8-11(9-14(18-13)16(20)21)10-4-6-12(22-2)7-5-10/h4-9H,3H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKZQDRDXFZOTCND-UHFFFAOYSA-N
XLogP2.21
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid (CID 139213281) is 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid is CCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.
What is the InChIKey of 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is KZQDRDXFZOTCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-17-15(19)13-8-11(9-14(18-13)16(20)21)10-4-6-12(22-2)7-5-10/h4-9H,3H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid?
6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 139213281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).