6-(2-methylpentanoylamino)pyridine-3-carboxylic acid

C12H16N2O3 — CID 61318986

IUPAC6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
SMILESCCCC(C)C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-3-4-8(2)11(15)14-10-6-5-9(7-13-10)12(16)17/h5-8H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyMRYXJOPFLALMKD-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.15
Rot. Bonds5

About 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid

6-(2-methylpentanoylamino)pyridine-3-carboxylic acid (PubChem CID 61318986) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
PubChem CID61318986
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
SMILESCCCC(C)C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-3-4-8(2)11(15)14-10-6-5-9(7-13-10)12(16)17/h5-8H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyMRYXJOPFLALMKD-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

6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54959157
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 79734521
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
6-(propylsulfonylamino)pyridine-3-carboxylic acid
CID 61318389
2-methyl-N-phenylpentanamide
CID 4627801

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid (CID 61318986) is 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid is CCCC(C)C(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid?
The InChIKey is MRYXJOPFLALMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-4-8(2)11(15)14-10-6-5-9(7-13-10)12(16)17/h5-8H,3-4H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid?
6-(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 6-(2-methylpentanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 61318986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).