2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid

C16H22N2O4 — CID 122056007

IUPAC2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid
SMILESCCOC1CC(N(C)C(=O)c2cc(C(=O)O)ccn2)C1(C)C
InChIInChI=1S/C16H22N2O4/c1-5-22-13-9-12(16(13,2)3)18(4)14(19)11-8-10(15(20)21)6-7-17-11/h6-8,12-13H,5,9H2,1-4H3,(H,20,21)
InChIKeyOIXGBKWGUYRZGV-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.06
Rot. Bonds5

About 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid

2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid (PubChem CID 122056007) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid
PubChem CID122056007
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid
SMILESCCOC1CC(N(C)C(=O)c2cc(C(=O)O)ccn2)C1(C)C
InChIInChI=1S/C16H22N2O4/c1-5-22-13-9-12(16(13,2)3)18(4)14(19)11-8-10(15(20)21)6-7-17-11/h6-8,12-13H,5,9H2,1-4H3,(H,20,21)
InChIKeyOIXGBKWGUYRZGV-UHFFFAOYSA-N
XLogP2.06
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119186362
5-[[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-methylcarbamoyl]thiophene-2-carboxylic acid
CID 124683947
5-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylcarbamoyl]thiophene-2-carboxylic acid
CID 124683245
N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877466
N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877468
N-[(1R,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877465
3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119137843
N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide
CID 71975447
3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide
CID 119137838
2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056277
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71874470
2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055270

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid (CID 122056007) is 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid is CCOC1CC(N(C)C(=O)c2cc(C(=O)O)ccn2)C1(C)C.
What is the InChIKey of 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid?
The InChIKey is OIXGBKWGUYRZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-22-13-9-12(16(13,2)3)18(4)14(19)11-8-10(15(20)21)6-7-17-11/h6-8,12-13H,5,9H2,1-4H3,(H,20,21).
What are the key properties of 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid?
2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).