6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid

C15H20N2O3 — CID 63997179

IUPAC6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC1CCC(NC(=O)c2ccc(C(=O)O)cn2)C(C)C1
InChIInChI=1S/C15H20N2O3/c1-9-3-5-12(10(2)7-9)17-14(18)13-6-4-11(8-16-13)15(19)20/h4,6,8-10,12H,3,5,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIFNNUBHGIPUICW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds3

About 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid

6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63997179) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63997179
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC1CCC(NC(=O)c2ccc(C(=O)O)cn2)C(C)C1
InChIInChI=1S/C15H20N2O3/c1-9-3-5-12(10(2)7-9)17-14(18)13-6-4-11(8-16-13)15(19)20/h4,6,8-10,12H,3,5,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIFNNUBHGIPUICW-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid (CID 63997179) is 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid is CC1CCC(NC(=O)c2ccc(C(=O)O)cn2)C(C)C1.
What is the InChIKey of 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is IFNNUBHGIPUICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-3-5-12(10(2)7-9)17-14(18)13-6-4-11(8-16-13)15(19)20/h4,6,8-10,12H,3,5,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63997179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).