oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate

C13H18N2O3 — CID 113323755

IUPACoxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)OC2CCOC2)n1
InChIInChI=1S/C13H18N2O3/c1-9(2)14-12-5-3-4-11(15-12)13(16)18-10-6-7-17-8-10/h3-5,9-10H,6-8H2,1-2H3,(H,14,15)
InChIKeyYWSMWBMXSXMNPW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.85
Rot. Bonds4

About oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate

oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 113323755) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID113323755
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameoxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)OC2CCOC2)n1
InChIInChI=1S/C13H18N2O3/c1-9(2)14-12-5-3-4-11(15-12)13(16)18-10-6-7-17-8-10/h3-5,9-10H,6-8H2,1-2H3,(H,14,15)
InChIKeyYWSMWBMXSXMNPW-UHFFFAOYSA-N
XLogP1.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl 6-bromopyridine-2-carboxylate
CID 103890143
oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498619
2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 106205643
(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498727
propyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498670
oxan-4-yl 6-fluoropyridine-2-carboxylate
CID 115498876
(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
oxolan-3-yl 6-chloropyridazine-3-carboxylate
CID 63839685
oxolan-3-yl 5-aminopyridine-2-carboxylate
CID 81316831
2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498736
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498253
oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate
CID 81099251

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate (CID 113323755) is oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate is CC(C)Nc1cccc(C(=O)OC2CCOC2)n1.
What is the InChIKey of oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is YWSMWBMXSXMNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)14-12-5-3-4-11(15-12)13(16)18-10-6-7-17-8-10/h3-5,9-10H,6-8H2,1-2H3,(H,14,15).
What are the key properties of oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate?
oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 113323755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).