1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one

C24H23N3O2 — CID 164856066

IUPAC1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
SMILESCc1c(C#CC2CC2)cccc1Cn1c(C)cc(OCc2ncccn2)cc1=O
InChIInChI=1S/C24H23N3O2/c1-17-13-22(29-16-23-25-11-4-12-26-23)14-24(28)27(17)15-21-6-3-5-20(18(21)2)10-9-19-7-8-19/h3-6,11-14,19H,7-8,15-16H2,1-2H3
InChIKeyUJBZTLYXMMLSNG-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.64
Rot. Bonds5

About 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one

1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one (PubChem CID 164856066) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
PubChem CID164856066
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
SMILESCc1c(C#CC2CC2)cccc1Cn1c(C)cc(OCc2ncccn2)cc1=O
InChIInChI=1S/C24H23N3O2/c1-17-13-22(29-16-23-25-11-4-12-26-23)14-24(28)27(17)15-21-6-3-5-20(18(21)2)10-9-19-7-8-19/h3-6,11-14,19H,7-8,15-16H2,1-2H3
InChIKeyUJBZTLYXMMLSNG-UHFFFAOYSA-N
XLogP3.64
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
The IUPAC name of 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one (CID 164856066) is 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one.
What is the SMILES notation for 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
The canonical SMILES for 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one is Cc1c(C#CC2CC2)cccc1Cn1c(C)cc(OCc2ncccn2)cc1=O.
What is the InChIKey of 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
The InChIKey is UJBZTLYXMMLSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-13-22(29-16-23-25-11-4-12-26-23)14-24(28)27(17)15-21-6-3-5-20(18(21)2)10-9-19-7-8-19/h3-6,11-14,19H,7-8,15-16H2,1-2H3.
What are the key properties of 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-6-methyl-4-(pyrimidin-2-ylmethoxy)pyridin-2-one is sourced from PubChem (CID 164856066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).