(2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone

C18H19NO — CID 114602090

IUPAC(2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone
SMILESCc1cnc(C(=O)c2ccccc2C2CCC2)c(C)c1
InChIInChI=1S/C18H19NO/c1-12-10-13(2)17(19-11-12)18(20)16-9-4-3-8-15(16)14-6-5-7-14/h3-4,8-11,14H,5-7H2,1-2H3
InChIKeyXSCJVUYUTQYIOJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.20
Rot. Bonds3

About (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone

(2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone (PubChem CID 114602090) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone
PubChem CID114602090
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone
SMILESCc1cnc(C(=O)c2ccccc2C2CCC2)c(C)c1
InChIInChI=1S/C18H19NO/c1-12-10-13(2)17(19-11-12)18(20)16-9-4-3-8-15(16)14-6-5-7-14/h3-4,8-11,14H,5-7H2,1-2H3
InChIKeyXSCJVUYUTQYIOJ-UHFFFAOYSA-N
XLogP4.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone?
The IUPAC name of (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone (CID 114602090) is (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone.
What is the SMILES notation for (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone?
The canonical SMILES for (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone is Cc1cnc(C(=O)c2ccccc2C2CCC2)c(C)c1.
What is the InChIKey of (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone?
The InChIKey is XSCJVUYUTQYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-10-13(2)17(19-11-12)18(20)16-9-4-3-8-15(16)14-6-5-7-14/h3-4,8-11,14H,5-7H2,1-2H3.
What are the key properties of (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone?
(2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone has a molecular weight of 265.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone is sourced from PubChem (CID 114602090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).