2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid

C12H16N2O3 — CID 66631637

IUPAC2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid
SMILESCCC1(C(=O)NC2CC2)C=C(C(=O)O)C=CN1
InChIInChI=1S/C12H16N2O3/c1-2-12(11(17)14-9-3-4-9)7-8(10(15)16)5-6-13-12/h5-7,9,13H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyGHXFRQCSLHRECL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.54
Rot. Bonds4

About 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid

2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid (PubChem CID 66631637) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid
PubChem CID66631637
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid
SMILESCCC1(C(=O)NC2CC2)C=C(C(=O)O)C=CN1
InChIInChI=1S/C12H16N2O3/c1-2-12(11(17)14-9-3-4-9)7-8(10(15)16)5-6-13-12/h5-7,9,13H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyGHXFRQCSLHRECL-UHFFFAOYSA-N
XLogP0.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid (CID 66631637) is 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid is CCC1(C(=O)NC2CC2)C=C(C(=O)O)C=CN1.
What is the InChIKey of 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid?
The InChIKey is GHXFRQCSLHRECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-12(11(17)14-9-3-4-9)7-8(10(15)16)5-6-13-12/h5-7,9,13H,2-4H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid?
2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoyl)-2-ethyl-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 66631637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).