6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid

C12H9N3O3 — CID 43558281

IUPAC6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cccnc2)n1
InChIInChI=1S/C12H9N3O3/c16-11(14-8-3-2-6-13-7-8)9-4-1-5-10(15-9)12(17)18/h1-7H,(H,14,16)(H,17,18)
InChIKeyKQMAHPIDCOVUAJ-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.43
Rot. Bonds3

About 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid

6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558281) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558281
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cccnc2)n1
InChIInChI=1S/C12H9N3O3/c16-11(14-8-3-2-6-13-7-8)9-4-1-5-10(15-9)12(17)18/h1-7H,(H,14,16)(H,17,18)
InChIKeyKQMAHPIDCOVUAJ-UHFFFAOYSA-N
XLogP1.43
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Picolinic acid
CID 1018
Zinc Picolinate
CID 9904746
3-Aminopicolinic acid
CID 73836
2-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71559
5-Acetamidopyridine-2-carboxylic acid
CID 5278292
4-Aminopicolinic acid
CID 2050132
5-Aminopyridine-2-carboxylic acid
CID 4179726
4-(Pyridine-2-amido)benzoic acid
CID 16770258
4-Amino-5-acetamidopyridine-2-carboxylic acid
CID 5278296
4-(Piperidin-1-yl)picolinic acid
CID 270402
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
6-(Methylcarbamoyl)pyridine-2-carboxylic acid
CID 43558273

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid (CID 43558281) is 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)Nc2cccnc2)n1.
What is the InChIKey of 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is KQMAHPIDCOVUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-11(14-8-3-2-6-13-7-8)9-4-1-5-10(15-9)12(17)18/h1-7H,(H,14,16)(H,17,18).
What are the key properties of 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid?
6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).