(2-amino-4-pyridinyl)methyl cyclohexanecarboxylate

C13H18N2O2 — CID 119052398

IUPAC(2-amino-4-pyridinyl)methyl cyclohexanecarboxylate
SMILESNc1cc(COC(=O)C2CCCCC2)ccn1
InChIInChI=1S/C13H18N2O2/c14-12-8-10(6-7-15-12)9-17-13(16)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H2,14,15)
InChIKeyVJIOUAVIDWEGGI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.29
Rot. Bonds3

About (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate

(2-amino-4-pyridinyl)methyl cyclohexanecarboxylate (PubChem CID 119052398) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)methyl cyclohexanecarboxylate
PubChem CID119052398
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-amino-4-pyridinyl)methyl cyclohexanecarboxylate
SMILESNc1cc(COC(=O)C2CCCCC2)ccn1
InChIInChI=1S/C13H18N2O2/c14-12-8-10(6-7-15-12)9-17-13(16)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H2,14,15)
InChIKeyVJIOUAVIDWEGGI-UHFFFAOYSA-N
XLogP2.29
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate?
The IUPAC name of (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate (CID 119052398) is (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate.
What is the SMILES notation for (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate?
The canonical SMILES for (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate is Nc1cc(COC(=O)C2CCCCC2)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate?
The InChIKey is VJIOUAVIDWEGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-8-10(6-7-15-12)9-17-13(16)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H2,14,15).
What are the key properties of (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate?
(2-amino-4-pyridinyl)methyl cyclohexanecarboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)methyl cyclohexanecarboxylate is sourced from PubChem (CID 119052398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).