(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate

C13H18N2O2 — CID 113447858

IUPAC(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
SMILESCC1CCCCC1OC(=O)c1ncccc1N
InChIInChI=1S/C13H18N2O2/c1-9-5-2-3-7-11(9)17-13(16)12-10(14)6-4-8-15-12/h4,6,8-9,11H,2-3,5,7,14H2,1H3
InChIKeyLSGBFLHIYOZMGK-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.40
Rot. Bonds2

About (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate

(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate (PubChem CID 113447858) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
PubChem CID113447858
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
SMILESCC1CCCCC1OC(=O)c1ncccc1N
InChIInChI=1S/C13H18N2O2/c1-9-5-2-3-7-11(9)17-13(16)12-10(14)6-4-8-15-12/h4,6,8-9,11H,2-3,5,7,14H2,1H3
InChIKeyLSGBFLHIYOZMGK-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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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743106
(3,5-dimethylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743120
(2-methylcyclohexyl) 3-amino-2-hydroxybenzoate
CID 113386632
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
2-cyclobutylethyl 3-aminopyridine-2-carboxylate
CID 106202957
(3-amino-2-pyridinyl)-cyclohexylmethanone
CID 116613694
ethyl 3-aminopyridine-2-carboxylate
CID 565054
(2-methylcyclohexyl) 2-pyridin-2-ylacetate
CID 15055566
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
(3-amino-2-pyridinyl)-cyclobutylmethanone
CID 116613925

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate?
The IUPAC name of (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate (CID 113447858) is (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate.
What is the SMILES notation for (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate?
The canonical SMILES for (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate is CC1CCCCC1OC(=O)c1ncccc1N.
What is the InChIKey of (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate?
The InChIKey is LSGBFLHIYOZMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-2-3-7-11(9)17-13(16)12-10(14)6-4-8-15-12/h4,6,8-9,11H,2-3,5,7,14H2,1H3.
What are the key properties of (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate?
(2-methylcyclohexyl) 3-aminopyridine-2-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 (2-methylcyclohexyl) 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 113447858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).