ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate

C19H23NO5 — CID 22557851

IUPACethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2cc(OC)c(OC(C)C)c(OC)c2)c1
InChIInChI=1S/C19H23NO5/c1-6-24-19(21)13-7-8-20-15(9-13)14-10-16(22-4)18(25-12(2)3)17(11-14)23-5/h7-12H,6H2,1-5H3
InChIKeyKGJNPNQXPHCYHW-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.73
Rot. Bonds7

About ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate

ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate (PubChem CID 22557851) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate
PubChem CID22557851
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Nameethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2cc(OC)c(OC(C)C)c(OC)c2)c1
InChIInChI=1S/C19H23NO5/c1-6-24-19(21)13-7-8-20-15(9-13)14-10-16(22-4)18(25-12(2)3)17(11-14)23-5/h7-12H,6H2,1-5H3
InChIKeyKGJNPNQXPHCYHW-UHFFFAOYSA-N
XLogP3.73
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate (CID 22557851) is ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2cc(OC)c(OC(C)C)c(OC)c2)c1.
What is the InChIKey of ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate?
The InChIKey is KGJNPNQXPHCYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-6-24-19(21)13-7-8-20-15(9-13)14-10-16(22-4)18(25-12(2)3)17(11-14)23-5/h7-12H,6H2,1-5H3.
What are the key properties of ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate?
ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridine-4-carboxylate is sourced from PubChem (CID 22557851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).