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

C14H18N2O3 — CID 114550590

IUPAC6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1(C)CCC(NC(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H18N2O3/c1-14(2)7-6-9(8-14)15-12(17)10-4-3-5-11(16-10)13(18)19/h3-5,9H,6-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyAHMLVJRGHPLMHQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.09
Rot. Bonds3

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

6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 114550590) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID114550590
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1(C)CCC(NC(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H18N2O3/c1-14(2)7-6-9(8-14)15-12(17)10-4-3-5-11(16-10)13(18)19/h3-5,9H,6-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyAHMLVJRGHPLMHQ-UHFFFAOYSA-N
XLogP2.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid (CID 114550590) is 6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid is CC1(C)CCC(NC(=O)c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is AHMLVJRGHPLMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2)7-6-9(8-14)15-12(17)10-4-3-5-11(16-10)13(18)19/h3-5,9H,6-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114550590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).