[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate

C15H19N3O5 — CID 154990177

IUPAC[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate
SMILESCN(C(=O)OCOC(=O)c1cccnc1N)C1CCCCC1=O
InChIInChI=1S/C15H19N3O5/c1-18(11-6-2-3-7-12(11)19)15(21)23-9-22-14(20)10-5-4-8-17-13(10)16/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,16,17)
InChIKeyLNTFOCTZKNQDDM-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.36
Rot. Bonds4

About [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate

[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate (PubChem CID 154990177) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate
PubChem CID154990177
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate
SMILESCN(C(=O)OCOC(=O)c1cccnc1N)C1CCCCC1=O
InChIInChI=1S/C15H19N3O5/c1-18(11-6-2-3-7-12(11)19)15(21)23-9-22-14(20)10-5-4-8-17-13(10)16/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,16,17)
InChIKeyLNTFOCTZKNQDDM-UHFFFAOYSA-N
XLogP1.36
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate?
The IUPAC name of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate (CID 154990177) is [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate.
What is the SMILES notation for [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate?
The canonical SMILES for [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate is CN(C(=O)OCOC(=O)c1cccnc1N)C1CCCCC1=O.
What is the InChIKey of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate?
The InChIKey is LNTFOCTZKNQDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-18(11-6-2-3-7-12(11)19)15(21)23-9-22-14(20)10-5-4-8-17-13(10)16/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,16,17).
What are the key properties of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate?
[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate is sourced from PubChem (CID 154990177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).