(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate

C14H20N2O2 — CID 104743120

IUPAC(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
SMILESCC1CC(C)CC(OC(=O)c2ncccc2N)C1
InChIInChI=1S/C14H20N2O2/c1-9-6-10(2)8-11(7-9)18-14(17)13-12(15)4-3-5-16-13/h3-5,9-11H,6-8,15H2,1-2H3
InChIKeyUYGSROBZWMFWSW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.65
Rot. Bonds2

About (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate

(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate (PubChem CID 104743120) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
PubChem CID104743120
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
SMILESCC1CC(C)CC(OC(=O)c2ncccc2N)C1
InChIInChI=1S/C14H20N2O2/c1-9-6-10(2)8-11(7-9)18-14(17)13-12(15)4-3-5-16-13/h3-5,9-11H,6-8,15H2,1-2H3
InChIKeyUYGSROBZWMFWSW-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate?
The IUPAC name of (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate (CID 104743120) is (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate is CC1CC(C)CC(OC(=O)c2ncccc2N)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate?
The InChIKey is UYGSROBZWMFWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-10(2)8-11(7-9)18-14(17)13-12(15)4-3-5-16-13/h3-5,9-11H,6-8,15H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate?
(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 104743120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).