3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid

C14H13N3O4 — CID 81436631

IUPAC3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid
SMILESCCNC(=O)c1cc(Oc2cnccc2C(=O)O)ccn1
InChIInChI=1S/C14H13N3O4/c1-2-16-13(18)11-7-9(3-6-17-11)21-12-8-15-5-4-10(12)14(19)20/h3-8H,2H2,1H3,(H,16,18)(H,19,20)
InChIKeyPTKFONBVEZRLHE-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.72
Rot. Bonds5

About 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid

3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid (PubChem CID 81436631) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid
PubChem CID81436631
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid
SMILESCCNC(=O)c1cc(Oc2cnccc2C(=O)O)ccn1
InChIInChI=1S/C14H13N3O4/c1-2-16-13(18)11-7-9(3-6-17-11)21-12-8-15-5-4-10(12)14(19)20/h3-8H,2H2,1H3,(H,16,18)(H,19,20)
InChIKeyPTKFONBVEZRLHE-UHFFFAOYSA-N
XLogP1.72
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid
CID 81437555
4-(5-bromo-2-methylphenoxy)-N-ethylpyridine-2-carboxamide
CID 107284547
4-(2-bromo-4-methoxyphenoxy)-N-ethylpyridine-2-carboxamide
CID 104707708
4-(4-amino-2-chlorophenoxy)-N-ethylpyridine-2-carboxamide
CID 43517931
4-(5-bromo-2-fluorophenoxy)-N-ethylpyridine-2-carboxamide
CID 114673379
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 104629426
3-(4-acetylphenoxy)pyridine-4-carboxylic acid
CID 81443544
4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide
CID 143062051
3-N,4-N-diethylpyridine-3,4-dicarboxamide
CID 14527703
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid (CID 81436631) is 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid is CCNC(=O)c1cc(Oc2cnccc2C(=O)O)ccn1.
What is the InChIKey of 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid?
The InChIKey is PTKFONBVEZRLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-2-16-13(18)11-7-9(3-6-17-11)21-12-8-15-5-4-10(12)14(19)20/h3-8H,2H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid?
3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81436631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).