1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone

C18H19NO2 — CID 167485939

IUPAC1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone
SMILESCOc1c(C)cccc1-c1ccc(C(C)=O)nc1C1CC1
InChIInChI=1S/C18H19NO2/c1-11-5-4-6-15(18(11)21-3)14-9-10-16(12(2)20)19-17(14)13-7-8-13/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyGFBIQNCBVJBWMH-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.15
Rot. Bonds4

About 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone

1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone (PubChem CID 167485939) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone
PubChem CID167485939
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone
SMILESCOc1c(C)cccc1-c1ccc(C(C)=O)nc1C1CC1
InChIInChI=1S/C18H19NO2/c1-11-5-4-6-15(18(11)21-3)14-9-10-16(12(2)20)19-17(14)13-7-8-13/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyGFBIQNCBVJBWMH-UHFFFAOYSA-N
XLogP4.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone (CID 167485939) is 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone is COc1c(C)cccc1-c1ccc(C(C)=O)nc1C1CC1.
What is the InChIKey of 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone?
The InChIKey is GFBIQNCBVJBWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11-5-4-6-15(18(11)21-3)14-9-10-16(12(2)20)19-17(14)13-7-8-13/h4-6,9-10,13H,7-8H2,1-3H3.
What are the key properties of 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone?
1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone has a molecular weight of 281.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 167485939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).