phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate

C19H19NO3 — CID 101115959

IUPACphenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1ccc(C2=CCCCN2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-22-16-12-10-15(11-13-16)18-9-5-6-14-20(18)19(21)23-17-7-3-2-4-8-17/h2-4,7-13H,5-6,14H2,1H3
InChIKeyDJOPCMBTTNGQJZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.33
Rot. Bonds3

About phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate

phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 101115959) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namephenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID101115959
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namephenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1ccc(C2=CCCCN2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-22-16-12-10-15(11-13-16)18-9-5-6-14-20(18)19(21)23-17-7-3-2-4-8-17/h2-4,7-13H,5-6,14H2,1H3
InChIKeyDJOPCMBTTNGQJZ-UHFFFAOYSA-N
XLogP4.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 101115959) is phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate is COc1ccc(C2=CCCCN2C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is DJOPCMBTTNGQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-16-12-10-15(11-13-16)18-9-5-6-14-20(18)19(21)23-17-7-3-2-4-8-17/h2-4,7-13H,5-6,14H2,1H3.
What are the key properties of phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 101115959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).