6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one

C24H29N3O2 — CID 167175754

IUPAC6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
SMILESCCCCCc1ccc([C@@H](C)n2c(C)cc(OCc3ncccn3)cc2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-4-5-6-8-20-9-11-21(12-10-20)19(3)27-18(2)15-22(16-24(27)28)29-17-23-25-13-7-14-26-23/h7,9-16,19H,4-6,8,17H2,1-3H3/t19-/m1/s1
InChIKeyVBPWTNYYJYTKSX-LJQANCHMSA-N
MW391.52 g/mol
LogP4.87
Rot. Bonds9

About 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one

6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one (PubChem CID 167175754) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
PubChem CID167175754
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
SMILESCCCCCc1ccc([C@@H](C)n2c(C)cc(OCc3ncccn3)cc2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-4-5-6-8-20-9-11-21(12-10-20)19(3)27-18(2)15-22(16-24(27)28)29-17-23-25-13-7-14-26-23/h7,9-16,19H,4-6,8,17H2,1-3H3/t19-/m1/s1
InChIKeyVBPWTNYYJYTKSX-LJQANCHMSA-N
XLogP4.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
The IUPAC name of 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one (CID 167175754) is 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
The canonical SMILES for 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one is CCCCCc1ccc([C@@H](C)n2c(C)cc(OCc3ncccn3)cc2=O)cc1.
What is the InChIKey of 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
The InChIKey is VBPWTNYYJYTKSX-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-4-5-6-8-20-9-11-21(12-10-20)19(3)27-18(2)15-22(16-24(27)28)29-17-23-25-13-7-14-26-23/h7,9-16,19H,4-6,8,17H2,1-3H3/t19-/m1/s1.
What are the key properties of 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one has a molecular weight of 391.52 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(1R)-1-(4-pentylphenyl)ethyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one is sourced from PubChem (CID 167175754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).