methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate

C12H16N2O4 — CID 58826959

IUPACmethyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate
SMILESCCN(CC)C(=O)Oc1cnccc1C(=O)OC
InChIInChI=1S/C12H16N2O4/c1-4-14(5-2)12(16)18-10-8-13-7-6-9(10)11(15)17-3/h6-8H,4-5H2,1-3H3
InChIKeyQTOSWPSCNIYKHO-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.71
Rot. Bonds4

About methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate

methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate (PubChem CID 58826959) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate
PubChem CID58826959
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate
SMILESCCN(CC)C(=O)Oc1cnccc1C(=O)OC
InChIInChI=1S/C12H16N2O4/c1-4-14(5-2)12(16)18-10-8-13-7-6-9(10)11(15)17-3/h6-8H,4-5H2,1-3H3
InChIKeyQTOSWPSCNIYKHO-UHFFFAOYSA-N
XLogP1.71
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(trifluoromethylsulfonyloxy)pyridine-4-carboxylate
CID 139986316
methyl 4-(2-methylbutoxy)pyridine-3-carboxylate
CID 132587596
methyl 3-chloropyridine-4-carboxylate
CID 15324397
(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate
CID 24851364
N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide
CID 105063443
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
CID 57052459
1-chloro-4-methylbenzene;methyl 3-(2-aminoethoxy)pyridine-4-carboxylate
CID 145267949
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
methyl 3-isocyanatopyridine-4-carboxylate
CID 46909403
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate?
The IUPAC name of methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate (CID 58826959) is methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate is CCN(CC)C(=O)Oc1cnccc1C(=O)OC.
What is the InChIKey of methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate?
The InChIKey is QTOSWPSCNIYKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-4-14(5-2)12(16)18-10-8-13-7-6-9(10)11(15)17-3/h6-8H,4-5H2,1-3H3.
What are the key properties of methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate?
methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate is sourced from PubChem (CID 58826959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).