2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid

C10H14N2O3 — CID 70115917

IUPAC2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid
SMILESCN(C)C(=O)C1(C)C=C(C(=O)O)C=CN1
InChIInChI=1S/C10H14N2O3/c1-10(9(15)12(2)3)6-7(8(13)14)4-5-11-10/h4-6,11H,1-3H3,(H,13,14)
InChIKeyOVCYGCAOJSJDPQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.04
Rot. Bonds2

About 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid

2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid (PubChem CID 70115917) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid
PubChem CID70115917
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid
SMILESCN(C)C(=O)C1(C)C=C(C(=O)O)C=CN1
InChIInChI=1S/C10H14N2O3/c1-10(9(15)12(2)3)6-7(8(13)14)4-5-11-10/h4-6,11H,1-3H3,(H,13,14)
InChIKeyOVCYGCAOJSJDPQ-UHFFFAOYSA-N
XLogP-0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid (CID 70115917) is 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid is CN(C)C(=O)C1(C)C=C(C(=O)O)C=CN1.
What is the InChIKey of 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid?
The InChIKey is OVCYGCAOJSJDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(9(15)12(2)3)6-7(8(13)14)4-5-11-10/h4-6,11H,1-3H3,(H,13,14).
What are the key properties of 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid?
2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoyl)-2-methyl-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 70115917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).