methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate

C23H27NO3 — CID 11726366

IUPACmethyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1
InChIInChI=1S/C23H27NO3/c1-14-11-17-18(23(4,5)10-9-22(17,2)3)12-16(14)20(25)19-8-7-15(13-24-19)21(26)27-6/h7-8,11-13H,9-10H2,1-6H3
InChIKeyYYRUFECVWILGJZ-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.76
Rot. Bonds3

About methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate

methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate (PubChem CID 11726366) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate
PubChem CID11726366
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Namemethyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1
InChIInChI=1S/C23H27NO3/c1-14-11-17-18(23(4,5)10-9-22(17,2)3)12-16(14)20(25)19-8-7-15(13-24-19)21(26)27-6/h7-8,11-13H,9-10H2,1-6H3
InChIKeyYYRUFECVWILGJZ-UHFFFAOYSA-N
XLogP4.76
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate (CID 11726366) is methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.
What is the InChIKey of methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate?
The InChIKey is YYRUFECVWILGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-14-11-17-18(23(4,5)10-9-22(17,2)3)12-16(14)20(25)19-8-7-15(13-24-19)21(26)27-6/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate?
methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate is sourced from PubChem (CID 11726366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).