3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid

C12H16N2O4 — CID 113447517

IUPAC3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
SMILESCOC(C)CCC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(18-2)5-6-10(15)14-9-4-3-7-13-11(9)12(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFLSIGNXUEKGDEE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.53
Rot. Bonds6

About 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid

3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid (PubChem CID 113447517) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
PubChem CID113447517
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
SMILESCOC(C)CCC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(18-2)5-6-10(15)14-9-4-3-7-13-11(9)12(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFLSIGNXUEKGDEE-UHFFFAOYSA-N
XLogP1.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 103536527
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740367
3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 104739937
3-(1-methoxybutan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447920
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid (CID 113447517) is 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid is COC(C)CCC(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid?
The InChIKey is FLSIGNXUEKGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(18-2)5-6-10(15)14-9-4-3-7-13-11(9)12(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid?
3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 113447517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).