5-(2-methylpentanoylamino)pyridine-3-carboxylic acid

C12H16N2O3 — CID 63153597

IUPAC5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
SMILESCCCC(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-3-4-8(2)11(15)14-10-5-9(12(16)17)6-13-7-10/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFJRIVVXGABDKLS-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.15
Rot. Bonds5

About 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid

5-(2-methylpentanoylamino)pyridine-3-carboxylic acid (PubChem CID 63153597) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
PubChem CID63153597
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
SMILESCCCC(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-3-4-8(2)11(15)14-10-5-9(12(16)17)6-13-7-10/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFJRIVVXGABDKLS-UHFFFAOYSA-N
XLogP2.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
5-(2-aminopentanoylamino)pyridine-3-carboxylic acid
CID 55164466
5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
5-(octan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158184
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
CID 63154469
5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158039
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
dimethyl 5-(2-methylpentanoylamino)benzene-1,3-dicarboxylate
CID 2888853
2-methyl-N-phenylpentanamide
CID 4627801
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 61318986
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid (CID 63153597) is 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid is CCCC(C)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid?
The InChIKey is FJRIVVXGABDKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-4-8(2)11(15)14-10-5-9(12(16)17)6-13-7-10/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid?
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63153597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).