(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone

C11H14N2O2 — CID 116587515

IUPAC(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)C2COCC2N)c1
InChIInChI=1S/C11H14N2O2/c1-7-2-8(4-13-3-7)11(14)9-5-15-6-10(9)12/h2-4,9-10H,5-6,12H2,1H3
InChIKeyDRTKVHDTWHZNQR-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.55
Rot. Bonds2

About (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone

(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 116587515) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID116587515
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)C2COCC2N)c1
InChIInChI=1S/C11H14N2O2/c1-7-2-8(4-13-3-7)11(14)9-5-15-6-10(9)12/h2-4,9-10H,5-6,12H2,1H3
InChIKeyDRTKVHDTWHZNQR-UHFFFAOYSA-N
XLogP0.55
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 116587363
4-[ethyl-(5-methylpyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245826
(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950409
N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide
CID 175896521
(4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone
CID 116587384
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
CID 115374008
(4-aminooxolan-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 116587577
(4-methylmorpholin-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 115374040
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone
CID 113297061
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
(5-methyl-3-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950411

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone (CID 116587515) is (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)C2COCC2N)c1.
What is the InChIKey of (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is DRTKVHDTWHZNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-2-8(4-13-3-7)11(14)9-5-15-6-10(9)12/h2-4,9-10H,5-6,12H2,1H3.
What are the key properties of (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone?
(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 206.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116587515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).