2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid

C13H16N2O3 — CID 122056277

IUPAC2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCN(CCC1CC1)C(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H16N2O3/c1-15(7-5-9-2-3-9)12(16)11-8-10(13(17)18)4-6-14-11/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyUFTRLLBBYSONOF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.65
Rot. Bonds5

About 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid

2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122056277) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid
PubChem CID122056277
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCN(CCC1CC1)C(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H16N2O3/c1-15(7-5-9-2-3-9)12(16)11-8-10(13(17)18)4-6-14-11/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyUFTRLLBBYSONOF-UHFFFAOYSA-N
XLogP1.65
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
2-[methyl(4-phenylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055292
2-[methyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056020
2-[methyl(2-methylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055655
2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055290
2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
CID 115115937
2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
CID 115116324
2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
CID 61443100
2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055619
4-[2-methoxyethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112555193
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055270

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid (CID 122056277) is 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid is CN(CCC1CC1)C(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is UFTRLLBBYSONOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(7-5-9-2-3-9)12(16)11-8-10(13(17)18)4-6-14-11/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18).
What are the key properties of 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid?
2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).