2,4-bis(6-methyl-2-pyridinyl)pentan-3-one

C17H20N2O — CID 152560724

IUPAC2,4-bis(6-methyl-2-pyridinyl)pentan-3-one
SMILESCc1cccc(C(C)C(=O)C(C)c2cccc(C)n2)n1
InChIInChI=1S/C17H20N2O/c1-11-7-5-9-15(18-11)13(3)17(20)14(4)16-10-6-8-12(2)19-16/h5-10,13-14H,1-4H3
InChIKeyYPLAAJJVNBHVJV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.57
Rot. Bonds4

About 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one

2,4-bis(6-methyl-2-pyridinyl)pentan-3-one (PubChem CID 152560724) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(6-methyl-2-pyridinyl)pentan-3-one
PubChem CID152560724
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2,4-bis(6-methyl-2-pyridinyl)pentan-3-one
SMILESCc1cccc(C(C)C(=O)C(C)c2cccc(C)n2)n1
InChIInChI=1S/C17H20N2O/c1-11-7-5-9-15(18-11)13(3)17(20)14(4)16-10-6-8-12(2)19-16/h5-10,13-14H,1-4H3
InChIKeyYPLAAJJVNBHVJV-UHFFFAOYSA-N
XLogP3.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one?
The IUPAC name of 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one (CID 152560724) is 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one.
What is the SMILES notation for 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one?
The canonical SMILES for 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one is Cc1cccc(C(C)C(=O)C(C)c2cccc(C)n2)n1.
What is the InChIKey of 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one?
The InChIKey is YPLAAJJVNBHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-7-5-9-15(18-11)13(3)17(20)14(4)16-10-6-8-12(2)19-16/h5-10,13-14H,1-4H3.
What are the key properties of 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one?
2,4-bis(6-methyl-2-pyridinyl)pentan-3-one has a molecular weight of 268.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(6-methyl-2-pyridinyl)pentan-3-one is sourced from PubChem (CID 152560724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).