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

C12H9N3O4 — CID 81443048

IUPAC3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid
SMILESNC(=O)c1cccnc1Oc1cnccc1C(=O)O
InChIInChI=1S/C12H9N3O4/c13-10(16)8-2-1-4-15-11(8)19-9-6-14-5-3-7(9)12(17)18/h1-6H,(H2,13,16)(H,17,18)
InChIKeyZMZLPUIVWMTFBD-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.07
Rot. Bonds4

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

3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid (PubChem CID 81443048) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid
PubChem CID81443048
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid
SMILESNC(=O)c1cccnc1Oc1cnccc1C(=O)O
InChIInChI=1S/C12H9N3O4/c13-10(16)8-2-1-4-15-11(8)19-9-6-14-5-3-7(9)12(17)18/h1-6H,(H2,13,16)(H,17,18)
InChIKeyZMZLPUIVWMTFBD-UHFFFAOYSA-N
XLogP1.07
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluoro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442880
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
3-furo[3,2-c]pyridin-4-yloxypyridine-4-carboxylic acid
CID 106535499
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 43609549
2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
CID 24704749
2-(3-hydroxyphenoxy)pyridine-3-carboxamide
CID 60870286
3-(6-methylpyridazin-3-yl)oxypyridine-4-carboxylic acid
CID 81443389
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
2-[(4-amino-3-pyridinyl)oxy]benzoic acid
CID 22164896
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid (CID 81443048) is 3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid is NC(=O)c1cccnc1Oc1cnccc1C(=O)O.
What is the InChIKey of 3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
The InChIKey is ZMZLPUIVWMTFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c13-10(16)8-2-1-4-15-11(8)19-9-6-14-5-3-7(9)12(17)18/h1-6H,(H2,13,16)(H,17,18).
What are the key properties of 3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid?
3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81443048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).