ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate

C27H27NO2 — CID 53231612

IUPACethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2cccc3ccccc23)C(CC)C=C1c1ccccc1
InChIInChI=1S/C27H27NO2/c1-4-22-18-24(21-12-7-6-8-13-21)26(27(29)30-5-2)19(3)28(22)25-17-11-15-20-14-9-10-16-23(20)25/h6-18,22H,4-5H2,1-3H3
InChIKeyYCWJMIGFTVVDOA-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.36
Rot. Bonds5

About ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate

ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate (PubChem CID 53231612) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate
PubChem CID53231612
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Nameethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2cccc3ccccc23)C(CC)C=C1c1ccccc1
InChIInChI=1S/C27H27NO2/c1-4-22-18-24(21-12-7-6-8-13-21)26(27(29)30-5-2)19(3)28(22)25-17-11-15-20-14-9-10-16-23(20)25/h6-18,22H,4-5H2,1-3H3
InChIKeyYCWJMIGFTVVDOA-UHFFFAOYSA-N
XLogP6.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate (CID 53231612) is ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)N(c2cccc3ccccc23)C(CC)C=C1c1ccccc1.
What is the InChIKey of ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate?
The InChIKey is YCWJMIGFTVVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c1-4-22-18-24(21-12-7-6-8-13-21)26(27(29)30-5-2)19(3)28(22)25-17-11-15-20-14-9-10-16-23(20)25/h6-18,22H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate?
ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate has a molecular weight of 397.52 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6-methyl-1-naphthalen-1-yl-4-phenyl-2H-pyridine-5-carboxylate is sourced from PubChem (CID 53231612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).