methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate

C24H21NO2 — CID 71508597

IUPACmethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(Cc2cccc3ccccc23)C=CC1c1ccccc1
InChIInChI=1S/C24H21NO2/c1-27-24(26)23-17-25(15-14-22(23)19-8-3-2-4-9-19)16-20-12-7-11-18-10-5-6-13-21(18)20/h2-15,17,22H,16H2,1H3
InChIKeyLHABJXOXYJUZLS-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.01
Rot. Bonds4

About methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate

methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 71508597) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID71508597
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Namemethyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(Cc2cccc3ccccc23)C=CC1c1ccccc1
InChIInChI=1S/C24H21NO2/c1-27-24(26)23-17-25(15-14-22(23)19-8-3-2-4-9-19)16-20-12-7-11-18-10-5-6-13-21(18)20/h2-15,17,22H,16H2,1H3
InChIKeyLHABJXOXYJUZLS-UHFFFAOYSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate (CID 71508597) is methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate is COC(=O)C1=CN(Cc2cccc3ccccc23)C=CC1c1ccccc1.
What is the InChIKey of methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is LHABJXOXYJUZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-27-24(26)23-17-25(15-14-22(23)19-8-3-2-4-9-19)16-20-12-7-11-18-10-5-6-13-21(18)20/h2-15,17,22H,16H2,1H3.
What are the key properties of methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate?
methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(naphthalen-1-ylmethyl)-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 71508597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).