1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one

C27H30N2O2 — CID 11502520

IUPAC1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2ccc3cc(CC4CCN(C5CCCCC5)C4=O)ccc3c2)cn1
InChIInChI=1S/C27H30N2O2/c1-31-26-12-11-24(18-28-26)22-10-9-20-15-19(7-8-21(20)17-22)16-23-13-14-29(27(23)30)25-5-3-2-4-6-25/h7-12,15,17-18,23,25H,2-6,13-14,16H2,1H3
InChIKeyZERFVRRTKDFYHY-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.63
Rot. Bonds5

About 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one

1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one (PubChem CID 11502520) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one
PubChem CID11502520
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2ccc3cc(CC4CCN(C5CCCCC5)C4=O)ccc3c2)cn1
InChIInChI=1S/C27H30N2O2/c1-31-26-12-11-24(18-28-26)22-10-9-20-15-19(7-8-21(20)17-22)16-23-13-14-29(27(23)30)25-5-3-2-4-6-25/h7-12,15,17-18,23,25H,2-6,13-14,16H2,1H3
InChIKeyZERFVRRTKDFYHY-UHFFFAOYSA-N
XLogP5.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one (CID 11502520) is 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one is COc1ccc(-c2ccc3cc(CC4CCN(C5CCCCC5)C4=O)ccc3c2)cn1.
What is the InChIKey of 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is ZERFVRRTKDFYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-31-26-12-11-24(18-28-26)22-10-9-20-15-19(7-8-21(20)17-22)16-23-13-14-29(27(23)30)25-5-3-2-4-6-25/h7-12,15,17-18,23,25H,2-6,13-14,16H2,1H3.
What are the key properties of 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one?
1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 414.55 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 11502520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).