6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid

C14H20N2O3 — CID 115273621

IUPAC6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(C(=O)CCC(C)(C)C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)8-7-12(17)16(4)11-6-5-10(9-15-11)13(18)19/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyCWUJVMXLLWDYBG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.57
Rot. Bonds4

About 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid

6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid (PubChem CID 115273621) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid
PubChem CID115273621
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(C(=O)CCC(C)(C)C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)8-7-12(17)16(4)11-6-5-10(9-15-11)13(18)19/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyCWUJVMXLLWDYBG-UHFFFAOYSA-N
XLogP2.57
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid (CID 115273621) is 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid is CN(C(=O)CCC(C)(C)C)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid?
The InChIKey is CWUJVMXLLWDYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)8-7-12(17)16(4)11-6-5-10(9-15-11)13(18)19/h5-6,9H,7-8H2,1-4H3,(H,18,19).
What are the key properties of 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid?
6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,4-dimethylpentanoyl(methyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 115273621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).