3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid

C12H9N3O3 — CID 17296224

IUPAC3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1ccncc1)c1cccnc1C(=O)O
InChIInChI=1S/C12H9N3O3/c16-11(15-8-3-6-13-7-4-8)9-2-1-5-14-10(9)12(17)18/h1-7H,(H,17,18)(H,13,15,16)
InChIKeySBSRTQKUMFTVLQ-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.43
Rot. Bonds3

About 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid

3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 17296224) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID17296224
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1ccncc1)c1cccnc1C(=O)O
InChIInChI=1S/C12H9N3O3/c16-11(15-8-3-6-13-7-4-8)9-2-1-5-14-10(9)12(17)18/h1-7H,(H,17,18)(H,13,15,16)
InChIKeySBSRTQKUMFTVLQ-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

pyridine-2,3-dicarboxylic acid
CID 1066
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid
CID 71396226
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-benzamido-N-pyridin-4-ylbenzamide
CID 730926
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
3-oxalopyridine-2-carboxylic acid
CID 15639413
sodium;copper;hydride;phosphorous acid;pyridine-2,3-dicarboxylic acid
CID 175504102

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid (CID 17296224) is 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid is O=C(Nc1ccncc1)c1cccnc1C(=O)O.
What is the InChIKey of 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is SBSRTQKUMFTVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-11(15-8-3-6-13-7-4-8)9-2-1-5-14-10(9)12(17)18/h1-7H,(H,17,18)(H,13,15,16).
What are the key properties of 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
3-(pyridin-4-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 3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 17296224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).