1,5-bis(6-methyl-2-pyridinyl)pentan-3-one

C17H20N2O — CID 151463147

IUPAC1,5-bis(6-methyl-2-pyridinyl)pentan-3-one
SMILESCc1cccc(CCC(=O)CCc2cccc(C)n2)n1
InChIInChI=1S/C17H20N2O/c1-13-5-3-7-15(18-13)9-11-17(20)12-10-16-8-4-6-14(2)19-16/h3-8H,9-12H2,1-2H3
InChIKeyPIXADFUOAHJQPU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.23
Rot. Bonds6

About 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one

1,5-bis(6-methyl-2-pyridinyl)pentan-3-one (PubChem CID 151463147) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(6-methyl-2-pyridinyl)pentan-3-one
PubChem CID151463147
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1,5-bis(6-methyl-2-pyridinyl)pentan-3-one
SMILESCc1cccc(CCC(=O)CCc2cccc(C)n2)n1
InChIInChI=1S/C17H20N2O/c1-13-5-3-7-15(18-13)9-11-17(20)12-10-16-8-4-6-14(2)19-16/h3-8H,9-12H2,1-2H3
InChIKeyPIXADFUOAHJQPU-UHFFFAOYSA-N
XLogP3.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one 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 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one?
The IUPAC name of 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one (CID 151463147) is 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one?
The canonical SMILES for 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one is Cc1cccc(CCC(=O)CCc2cccc(C)n2)n1.
What is the InChIKey of 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one?
The InChIKey is PIXADFUOAHJQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-5-3-7-15(18-13)9-11-17(20)12-10-16-8-4-6-14(2)19-16/h3-8H,9-12H2,1-2H3.
What are the key properties of 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one?
1,5-bis(6-methyl-2-pyridinyl)pentan-3-one has a molecular weight of 268.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(6-methyl-2-pyridinyl)pentan-3-one is sourced from PubChem (CID 151463147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).