(4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate

C19H23NO6 — CID 70581032

IUPAC(4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate
SMILESCCC1(c2ccccc2)C(OC(=O)OC)=C(C)NC(C)=C1OC(=O)OC
InChIInChI=1S/C19H23NO6/c1-6-19(14-10-8-7-9-11-14)15(25-17(21)23-4)12(2)20-13(3)16(19)26-18(22)24-5/h7-11,20H,6H2,1-5H3
InChIKeyAWWKEJZXOULWHY-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.97
Rot. Bonds4

About (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate

(4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate (PubChem CID 70581032) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate.

Molecular Properties

Compound Name(4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate
PubChem CID70581032
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name(4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate
SMILESCCC1(c2ccccc2)C(OC(=O)OC)=C(C)NC(C)=C1OC(=O)OC
InChIInChI=1S/C19H23NO6/c1-6-19(14-10-8-7-9-11-14)15(25-17(21)23-4)12(2)20-13(3)16(19)26-18(22)24-5/h7-11,20H,6H2,1-5H3
InChIKeyAWWKEJZXOULWHY-UHFFFAOYSA-N
XLogP3.97
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate?
The IUPAC name of (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate (CID 70581032) is (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate.
What is the SMILES notation for (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate?
The canonical SMILES for (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate is CCC1(c2ccccc2)C(OC(=O)OC)=C(C)NC(C)=C1OC(=O)OC.
What is the InChIKey of (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate?
The InChIKey is AWWKEJZXOULWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-6-19(14-10-8-7-9-11-14)15(25-17(21)23-4)12(2)20-13(3)16(19)26-18(22)24-5/h7-11,20H,6H2,1-5H3.
What are the key properties of (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate?
(4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate has a molecular weight of 361.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate is sourced from PubChem (CID 70581032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).