3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid

C9H11N3O3 — CID 104740545

IUPAC3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
SMILESCN(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C9H11N3O3/c1-12(2)9(15)11-6-4-3-5-10-7(6)8(13)14/h3-5H,1-2H3,(H,11,15)(H,13,14)
InChIKeyDRWJXWVEIKTQKM-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.87
Rot. Bonds2

About 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid

3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 104740545) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID104740545
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
SMILESCN(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C9H11N3O3/c1-12(2)9(15)11-6-4-3-5-10-7(6)8(13)14/h3-5H,1-2H3,(H,11,15)(H,13,14)
InChIKeyDRWJXWVEIKTQKM-UHFFFAOYSA-N
XLogP0.87
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447890
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447891
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743483
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447906
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743378

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid (CID 104740545) is 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid is CN(C)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is DRWJXWVEIKTQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-12(2)9(15)11-6-4-3-5-10-7(6)8(13)14/h3-5H,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid?
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 209.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104740545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).