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

C13H11N3O3 — CID 43558442

IUPAC6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C13H11N3O3/c17-12(15-8-9-3-2-6-14-7-9)10-4-1-5-11(16-10)13(18)19/h1-7H,8H2,(H,15,17)(H,18,19)
InChIKeyIQDDWUBJCZZIJJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.10
Rot. Bonds4

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

6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558442) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558442
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C13H11N3O3/c17-12(15-8-9-3-2-6-14-7-9)10-4-1-5-11(16-10)13(18)19/h1-7H,8H2,(H,15,17)(H,18,19)
InChIKeyIQDDWUBJCZZIJJ-UHFFFAOYSA-N
XLogP1.10
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
dicopper;methanol;bis(6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylate);dichloride;pentahydrate
CID 139158103
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
6-N-(2,6-diethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098267
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098263
6-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109098252
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid (CID 43558442) is 6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is IQDDWUBJCZZIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12(15-8-9-3-2-6-14-7-9)10-4-1-5-11(16-10)13(18)19/h1-7H,8H2,(H,15,17)(H,18,19).
What are the key properties of 6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).