(3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate

C13H18N2O3 — CID 81317043

IUPAC(3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate
SMILESCOC1CCCC(OC(=O)c2ccc(N)cn2)C1
InChIInChI=1S/C13H18N2O3/c1-17-10-3-2-4-11(7-10)18-13(16)12-6-5-9(14)8-15-12/h5-6,8,10-11H,2-4,7,14H2,1H3
InChIKeyZFEAPHMDLYZDHD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.78
Rot. Bonds3

About (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate

(3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate (PubChem CID 81317043) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate
PubChem CID81317043
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate
SMILESCOC1CCCC(OC(=O)c2ccc(N)cn2)C1
InChIInChI=1S/C13H18N2O3/c1-17-10-3-2-4-11(7-10)18-13(16)12-6-5-9(14)8-15-12/h5-6,8,10-11H,2-4,7,14H2,1H3
InChIKeyZFEAPHMDLYZDHD-UHFFFAOYSA-N
XLogP1.78
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate?
The IUPAC name of (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate (CID 81317043) is (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate.
What is the SMILES notation for (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate?
The canonical SMILES for (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate is COC1CCCC(OC(=O)c2ccc(N)cn2)C1.
What is the InChIKey of (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate?
The InChIKey is ZFEAPHMDLYZDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-3-2-4-11(7-10)18-13(16)12-6-5-9(14)8-15-12/h5-6,8,10-11H,2-4,7,14H2,1H3.
What are the key properties of (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate?
(3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81317043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).