3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid

C12H16N2O3 — CID 104740180

IUPAC3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
SMILESCC(C)C(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-7(2)8(3)11(15)14-9-5-4-6-13-10(9)12(16)17/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyPSBIJIBAHLCATN-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.01
Rot. Bonds4

About 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid

3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid (PubChem CID 104740180) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
PubChem CID104740180
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
SMILESCC(C)C(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-7(2)8(3)11(15)14-9-5-4-6-13-10(9)12(16)17/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyPSBIJIBAHLCATN-UHFFFAOYSA-N
XLogP2.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447906
3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113486653
3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
CID 113447517
3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
CID 104739879
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
3-[(4-methylpiperazin-1-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743816

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid (CID 104740180) is 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid is CC(C)C(C)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid?
The InChIKey is PSBIJIBAHLCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)8(3)11(15)14-9-5-4-6-13-10(9)12(16)17/h4-8H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid?
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104740180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).