6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid

C12H14N2O3 — CID 115910448

IUPAC6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1CC(NC(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C12H14N2O3/c1-7-5-8(6-7)13-11(15)9-3-2-4-10(14-9)12(16)17/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyOEOOYISXLCOUSD-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.31
Rot. Bonds3

About 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid

6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115910448) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID115910448
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1CC(NC(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C12H14N2O3/c1-7-5-8(6-7)13-11(15)9-3-2-4-10(14-9)12(16)17/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyOEOOYISXLCOUSD-UHFFFAOYSA-N
XLogP1.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 63997792
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689052
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590
3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
CID 115910449
6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82737181
6-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 114540991
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180912
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-hydrazinyl-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 62243210
CID 91986542
CID 91986542

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid (CID 115910448) is 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid is CC1CC(NC(=O)c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OEOOYISXLCOUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-5-8(6-7)13-11(15)9-3-2-4-10(14-9)12(16)17/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115910448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).