dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

C19H21NO6 — CID 2169192

IUPACdimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-24-16-8-11(4-7-15(16)21)17-13(18(22)25-2)9-20(12-5-6-12)10-14(17)19(23)26-3/h4,7-10,12,17,21H,5-6H2,1-3H3
InChIKeyAPDJIZAZWLOHKL-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.08
Rot. Bonds5

About dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 2169192) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID2169192
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namedimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-24-16-8-11(4-7-15(16)21)17-13(18(22)25-2)9-20(12-5-6-12)10-14(17)19(23)26-3/h4,7-10,12,17,21H,5-6H2,1-3H3
InChIKeyAPDJIZAZWLOHKL-UHFFFAOYSA-N
XLogP2.08
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 2169192) is dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1.
What is the InChIKey of dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is APDJIZAZWLOHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-24-16-8-11(4-7-15(16)21)17-13(18(22)25-2)9-20(12-5-6-12)10-14(17)19(23)26-3/h4,7-10,12,17,21H,5-6H2,1-3H3.
What are the key properties of dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 359.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-cyclopropyl-4-(4-hydroxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 2169192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).