oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate

C15H22N2O3 — CID 115498619

IUPACoxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)OCC2CCCCO2)n1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-14-8-5-7-13(17-14)15(18)20-10-12-6-3-4-9-19-12/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,16,17)
InChIKeyRXBSEAINPMCZAR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.63
Rot. Bonds5

About oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate

oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 115498619) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID115498619
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameoxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)OCC2CCCCO2)n1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-14-8-5-7-13(17-14)15(18)20-10-12-6-3-4-9-19-12/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,16,17)
InChIKeyRXBSEAINPMCZAR-UHFFFAOYSA-N
XLogP2.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420
propyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498670
6-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 62237897
oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599251
6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid
CID 53256658
oxan-2-ylmethyl 3-phenylbenzoate
CID 23625075
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
[(2S)-oxan-2-yl]methyl 3-(methylsulfonylmethyl)benzoate
CID 94871804
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309341

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate (CID 115498619) is oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate is CC(C)Nc1cccc(C(=O)OCC2CCCCO2)n1.
What is the InChIKey of oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is RXBSEAINPMCZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)16-14-8-5-7-13(17-14)15(18)20-10-12-6-3-4-9-19-12/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,16,17).
What are the key properties of oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 115498619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).