(oxetan-2-ylmethylamino) pyridine-3-carboxylate

C10H12N2O3 — CID 166709002

IUPAC(oxetan-2-ylmethylamino) pyridine-3-carboxylate
SMILESO=C(ONCC1CCO1)c1cccnc1
InChIInChI=1S/C10H12N2O3/c13-10(8-2-1-4-11-6-8)15-12-7-9-3-5-14-9/h1-2,4,6,9,12H,3,5,7H2
InChIKeyMGMLWSXASHALPX-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.53
Rot. Bonds4

About (oxetan-2-ylmethylamino) pyridine-3-carboxylate

(oxetan-2-ylmethylamino) pyridine-3-carboxylate (PubChem CID 166709002) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (oxetan-2-ylmethylamino) pyridine-3-carboxylate.

Molecular Properties

Compound Name(oxetan-2-ylmethylamino) pyridine-3-carboxylate
PubChem CID166709002
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(oxetan-2-ylmethylamino) pyridine-3-carboxylate
SMILESO=C(ONCC1CCO1)c1cccnc1
InChIInChI=1S/C10H12N2O3/c13-10(8-2-1-4-11-6-8)15-12-7-9-3-5-14-9/h1-2,4,6,9,12H,3,5,7H2
InChIKeyMGMLWSXASHALPX-UHFFFAOYSA-N
XLogP0.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
hydrazinyl pyridine-3-carboxylate
CID 22603598
N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
CID 125145459
pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury
CID 16683664
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
CID 171557176
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate
CID 95480071
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
[4-[(Z)-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 8897651
(5-hydroxyoxolan-2-yl)methyl pyridine-3-carboxylate
CID 169177178
(propan-2-ylamino) pyridine-3-carboxylate
CID 144881639

Frequently Asked Questions

What is the IUPAC name of (oxetan-2-ylmethylamino) pyridine-3-carboxylate?
The IUPAC name of (oxetan-2-ylmethylamino) pyridine-3-carboxylate (CID 166709002) is (oxetan-2-ylmethylamino) pyridine-3-carboxylate.
What is the SMILES notation for (oxetan-2-ylmethylamino) pyridine-3-carboxylate?
The canonical SMILES for (oxetan-2-ylmethylamino) pyridine-3-carboxylate is O=C(ONCC1CCO1)c1cccnc1.
What is the InChIKey of (oxetan-2-ylmethylamino) pyridine-3-carboxylate?
The InChIKey is MGMLWSXASHALPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10(8-2-1-4-11-6-8)15-12-7-9-3-5-14-9/h1-2,4,6,9,12H,3,5,7H2.
What are the key properties of (oxetan-2-ylmethylamino) pyridine-3-carboxylate?
(oxetan-2-ylmethylamino) pyridine-3-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (oxetan-2-ylmethylamino) pyridine-3-carboxylate is sourced from PubChem (CID 166709002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).