1,3-bis(6-ethyl-2-pyridinyl)propan-2-one

C17H20N2O — CID 121226540

IUPAC1,3-bis(6-ethyl-2-pyridinyl)propan-2-one
SMILESCCc1cccc(CC(=O)Cc2cccc(CC)n2)n1
InChIInChI=1S/C17H20N2O/c1-3-13-7-5-9-15(18-13)11-17(20)12-16-10-6-8-14(4-2)19-16/h5-10H,3-4,11-12H2,1-2H3
InChIKeyGDSGRSTZPKENHP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.96
Rot. Bonds6

About 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one

1,3-bis(6-ethyl-2-pyridinyl)propan-2-one (PubChem CID 121226540) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(6-ethyl-2-pyridinyl)propan-2-one
PubChem CID121226540
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1,3-bis(6-ethyl-2-pyridinyl)propan-2-one
SMILESCCc1cccc(CC(=O)Cc2cccc(CC)n2)n1
InChIInChI=1S/C17H20N2O/c1-3-13-7-5-9-15(18-13)11-17(20)12-16-10-6-8-14(4-2)19-16/h5-10H,3-4,11-12H2,1-2H3
InChIKeyGDSGRSTZPKENHP-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one (CID 121226540) is 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one is CCc1cccc(CC(=O)Cc2cccc(CC)n2)n1.
What is the InChIKey of 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one?
The InChIKey is GDSGRSTZPKENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-13-7-5-9-15(18-13)11-17(20)12-16-10-6-8-14(4-2)19-16/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one?
1,3-bis(6-ethyl-2-pyridinyl)propan-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(6-ethyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 121226540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).