6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid

C13H18N2O4 — CID 82960080

IUPAC6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOCCN(C(=O)c1cccc(C(=O)O)n1)C(C)C
InChIInChI=1S/C13H18N2O4/c1-9(2)15(7-8-19-3)12(16)10-5-4-6-11(14-10)13(17)18/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyGNKJVMNWVXQIPE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.28
Rot. Bonds6

About 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid

6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 82960080) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID82960080
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOCCN(C(=O)c1cccc(C(=O)O)n1)C(C)C
InChIInChI=1S/C13H18N2O4/c1-9(2)15(7-8-19-3)12(16)10-5-4-6-11(14-10)13(17)18/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyGNKJVMNWVXQIPE-UHFFFAOYSA-N
XLogP1.28
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 55125535
6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 55140872
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
CID 82941455
6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889770
5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 82959594
6-[2-methoxyethyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 55053038
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
N-butan-2-yl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 55050644
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889771
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 82949262
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid (CID 82960080) is 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid is COCCN(C(=O)c1cccc(C(=O)O)n1)C(C)C.
What is the InChIKey of 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is GNKJVMNWVXQIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)15(7-8-19-3)12(16)10-5-4-6-11(14-10)13(17)18/h4-6,9H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 82960080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).