methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate

C15H22N2O3 — CID 114409250

IUPACmethyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H22N2O3/c1-15(2)8-6-10(7-9-15)20-13-11(16)4-5-12(17-13)14(18)19-3/h4-5,10H,6-9,16H2,1-3H3
InChIKeyMRFSPKPGQCVXOV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.80
Rot. Bonds3

About methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate

methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate (PubChem CID 114409250) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate
PubChem CID114409250
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H22N2O3/c1-15(2)8-6-10(7-9-15)20-13-11(16)4-5-12(17-13)14(18)19-3/h4-5,10H,6-9,16H2,1-3H3
InChIKeyMRFSPKPGQCVXOV-UHFFFAOYSA-N
XLogP2.80
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate (CID 114409250) is methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate is COC(=O)c1ccc(N)c(OC2CCC(C)(C)CC2)n1.
What is the InChIKey of methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate?
The InChIKey is MRFSPKPGQCVXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)8-6-10(7-9-15)20-13-11(16)4-5-12(17-13)14(18)19-3/h4-5,10H,6-9,16H2,1-3H3.
What are the key properties of methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate?
methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate is sourced from PubChem (CID 114409250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).