6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid

C15H20N2O3 — CID 107175489

IUPAC6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid
SMILESCC1(C)CCCCC1C(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C15H20N2O3/c1-15(2)9-4-3-6-10(15)13(18)17-12-8-5-7-11(16-12)14(19)20/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyDFGZKQZGNDVFMR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.93
Rot. Bonds3

About 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid

6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 107175489) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid
PubChem CID107175489
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid
SMILESCC1(C)CCCCC1C(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C15H20N2O3/c1-15(2)9-4-3-6-10(15)13(18)17-12-8-5-7-11(16-12)14(19)20/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyDFGZKQZGNDVFMR-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid (CID 107175489) is 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid is CC1(C)CCCCC1C(=O)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is DFGZKQZGNDVFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)9-4-3-6-10(15)13(18)17-12-8-5-7-11(16-12)14(19)20/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid?
6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107175489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).