methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate

C15H22N2O4 — CID 133420445

IUPACmethyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(CCO)CCOC2)nc1C
InChIInChI=1S/C15H22N2O4/c1-11-12(14(19)20-2)3-4-13(17-11)16-9-15(5-7-18)6-8-21-10-15/h3-4,18H,5-10H2,1-2H3,(H,16,17)
InChIKeyGQBWQIWBMKKFDR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.38
Rot. Bonds6

About methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate

methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate (PubChem CID 133420445) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate
PubChem CID133420445
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(CCO)CCOC2)nc1C
InChIInChI=1S/C15H22N2O4/c1-11-12(14(19)20-2)3-4-13(17-11)16-9-15(5-7-18)6-8-21-10-15/h3-4,18H,5-10H2,1-2H3,(H,16,17)
InChIKeyGQBWQIWBMKKFDR-UHFFFAOYSA-N
XLogP1.38
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate (CID 133420445) is methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NCC2(CCO)CCOC2)nc1C.
What is the InChIKey of methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate?
The InChIKey is GQBWQIWBMKKFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-12(14(19)20-2)3-4-13(17-11)16-9-15(5-7-18)6-8-21-10-15/h3-4,18H,5-10H2,1-2H3,(H,16,17).
What are the key properties of methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate?
methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133420445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).