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

C17H20N2O6 — CID 70573933

IUPAC(2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate
SMILESCCC1=C(OC(=O)OC)C(c2cccnc2)C(OC(=O)OC)=C(C)N1
InChIInChI=1S/C17H20N2O6/c1-5-12-15(25-17(21)23-4)13(11-7-6-8-18-9-11)14(10(2)19-12)24-16(20)22-3/h6-9,13,19H,5H2,1-4H3
InChIKeyKYEOJCSCPYLYOE-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.19
Rot. Bonds4

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

(2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate (PubChem CID 70573933) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is (2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate.

Molecular Properties

Compound Name(2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate
PubChem CID70573933
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name(2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate
SMILESCCC1=C(OC(=O)OC)C(c2cccnc2)C(OC(=O)OC)=C(C)N1
InChIInChI=1S/C17H20N2O6/c1-5-12-15(25-17(21)23-4)13(11-7-6-8-18-9-11)14(10(2)19-12)24-16(20)22-3/h6-9,13,19H,5H2,1-4H3
InChIKeyKYEOJCSCPYLYOE-UHFFFAOYSA-N
XLogP3.19
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[2,6-dimethyl-3,5-bis(pyridin-3-yloxycarbonyloxy)-1,4-dihydropyridin-4-yl]benzoate
CID 70473165
[5-ethoxycarbonyloxy-2,6-dimethyl-4-(2-pyridin-3-ylethyl)-1,4-dihydropyridin-3-yl] ethyl carbonate
CID 70472773
[2,6-dimethyl-5-(2-methylpropoxycarbonyloxy)-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70439974
[5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70354419
[4-[4-(benzylcarbamoyl)phenyl]-2,6-dimethyl-5-(3-pyridin-3-ylpropoxycarbonyloxy)-1,4-dihydropyridin-3-yl] 3-pyridin-3-ylpropyl carbonate
CID 70472718
5-O-[2-(1,3-dihydroisoindol-2-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70061674
[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyloxy-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70410877
ethyl (4S)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 721403
3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
CID 679375
3-O-ethyl 5-O-methyl (4S)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
CID 679376
ethyl 2-oxo-4-pyridin-3-ylpyrrolidine-3-carboxylate
CID 122402974
methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate
CID 95782138

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate?
The IUPAC name of (2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate (CID 70573933) is (2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate.
What is the SMILES notation for (2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate?
The canonical SMILES for (2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate is CCC1=C(OC(=O)OC)C(c2cccnc2)C(OC(=O)OC)=C(C)N1.
What is the InChIKey of (2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate?
The InChIKey is KYEOJCSCPYLYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-5-12-15(25-17(21)23-4)13(11-7-6-8-18-9-11)14(10(2)19-12)24-16(20)22-3/h6-9,13,19H,5H2,1-4H3.
What are the key properties of (2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate?
(2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate has a molecular weight of 348.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methoxycarbonyloxy-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-3-yl) methyl carbonate is sourced from PubChem (CID 70573933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).