(3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate

C14H20N2O2 — CID 64732823

IUPAC(3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate
SMILESCC1CC(C)CC(OC(=O)c2ccc(N)nc2)C1
InChIInChI=1S/C14H20N2O2/c1-9-5-10(2)7-12(6-9)18-14(17)11-3-4-13(15)16-8-11/h3-4,8-10,12H,5-7H2,1-2H3,(H2,15,16)
InChIKeyCGHXSZKOWWRCRF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.65
Rot. Bonds2

About (3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate

(3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate (PubChem CID 64732823) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate
PubChem CID64732823
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate
SMILESCC1CC(C)CC(OC(=O)c2ccc(N)nc2)C1
InChIInChI=1S/C14H20N2O2/c1-9-5-10(2)7-12(6-9)18-14(17)11-3-4-13(15)16-8-11/h3-4,8-10,12H,5-7H2,1-2H3,(H2,15,16)
InChIKeyCGHXSZKOWWRCRF-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) 6-aminopyridine-3-carboxylate?
The IUPAC name of (3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate (CID 64732823) is (3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate is CC1CC(C)CC(OC(=O)c2ccc(N)nc2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate?
The InChIKey is CGHXSZKOWWRCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-10(2)7-12(6-9)18-14(17)11-3-4-13(15)16-8-11/h3-4,8-10,12H,5-7H2,1-2H3,(H2,15,16).
What are the key properties of (3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate?
(3,5-dimethylcyclohexyl) 6-aminopyridine-3-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) 6-aminopyridine-3-carboxylate is sourced from PubChem (CID 64732823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).