4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid

C15H20N2O4 — CID 119187196

IUPAC4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOC1(C)CC(NC(=O)c2ccnc(C(=O)O)c2)C1(C)C
InChIInChI=1S/C15H20N2O4/c1-14(2)11(8-15(14,3)21-4)17-12(18)9-5-6-16-10(7-9)13(19)20/h5-7,11H,8H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyHQGKZPPMBJBANO-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.71
Rot. Bonds4

About 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid

4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119187196) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119187196
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOC1(C)CC(NC(=O)c2ccnc(C(=O)O)c2)C1(C)C
InChIInChI=1S/C15H20N2O4/c1-14(2)11(8-15(14,3)21-4)17-12(18)9-5-6-16-10(7-9)13(19)20/h5-7,11H,8H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyHQGKZPPMBJBANO-UHFFFAOYSA-N
XLogP1.71
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-nitrobenzamide
CID 99717865
2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid
CID 129470229
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide
CID 99813012
2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055688
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
2-(3-methoxy-2-pyridinyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 129432564
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
4-[2-methoxyethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112555193

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid (CID 119187196) is 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid is COC1(C)CC(NC(=O)c2ccnc(C(=O)O)c2)C1(C)C.
What is the InChIKey of 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is HQGKZPPMBJBANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-14(2)11(8-15(14,3)21-4)17-12(18)9-5-6-16-10(7-9)13(19)20/h5-7,11H,8H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid?
4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119187196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).