(4-methylcyclohexyl) 5-aminopyridine-3-carboxylate

C13H18N2O2 — CID 63154166

IUPAC(4-methylcyclohexyl) 5-aminopyridine-3-carboxylate
SMILESCC1CCC(OC(=O)c2cncc(N)c2)CC1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-12(5-3-9)17-13(16)10-6-11(14)8-15-7-10/h6-9,12H,2-5,14H2,1H3
InChIKeyMGJYMEZSGFKYSW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.40
Rot. Bonds2

About (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate

(4-methylcyclohexyl) 5-aminopyridine-3-carboxylate (PubChem CID 63154166) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 5-aminopyridine-3-carboxylate
PubChem CID63154166
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4-methylcyclohexyl) 5-aminopyridine-3-carboxylate
SMILESCC1CCC(OC(=O)c2cncc(N)c2)CC1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-12(5-3-9)17-13(16)10-6-11(14)8-15-7-10/h6-9,12H,2-5,14H2,1H3
InChIKeyMGJYMEZSGFKYSW-UHFFFAOYSA-N
XLogP2.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate (CID 63154166) is (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate is CC1CCC(OC(=O)c2cncc(N)c2)CC1.
What is the InChIKey of (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate?
The InChIKey is MGJYMEZSGFKYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-4-12(5-3-9)17-13(16)10-6-11(14)8-15-7-10/h6-9,12H,2-5,14H2,1H3.
What are the key properties of (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate?
(4-methylcyclohexyl) 5-aminopyridine-3-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 5-aminopyridine-3-carboxylate is sourced from PubChem (CID 63154166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).