2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid

C14H18N2O4 — CID 122056426

IUPAC2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCOCCC1(NC(=O)c2cc(C(=O)O)ccn2)CCC1
InChIInChI=1S/C14H18N2O4/c1-20-8-6-14(4-2-5-14)16-12(17)11-9-10(13(18)19)3-7-15-11/h3,7,9H,2,4-6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyOJLZOBAUPMOVND-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.47
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid

2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122056426) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid
PubChem CID122056426
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCOCCC1(NC(=O)c2cc(C(=O)O)ccn2)CCC1
InChIInChI=1S/C14H18N2O4/c1-20-8-6-14(4-2-5-14)16-12(17)11-9-10(13(18)19)3-7-15-11/h3,7,9H,2,4-6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyOJLZOBAUPMOVND-UHFFFAOYSA-N
XLogP1.47
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055726
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056076
2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid
CID 129470229
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055349
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064
2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055666
2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid
CID 55268372
2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide
CID 170994125

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid (CID 122056426) is 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid is COCCC1(NC(=O)c2cc(C(=O)O)ccn2)CCC1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is OJLZOBAUPMOVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-8-6-14(4-2-5-14)16-12(17)11-9-10(13(18)19)3-7-15-11/h3,7,9H,2,4-6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid?
2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).