bis(6-propan-2-yl-2-pyridinyl)methanone

C17H20N2O — CID 150446878

IUPACbis(6-propan-2-yl-2-pyridinyl)methanone
SMILESCC(C)c1cccc(C(=O)c2cccc(C(C)C)n2)n1
InChIInChI=1S/C17H20N2O/c1-11(2)13-7-5-9-15(18-13)17(20)16-10-6-8-14(19-16)12(3)4/h5-12H,1-4H3
InChIKeyHMYGYFHBHRTUAR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.95
Rot. Bonds4

About bis(6-propan-2-yl-2-pyridinyl)methanone

bis(6-propan-2-yl-2-pyridinyl)methanone (PubChem CID 150446878) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is bis(6-propan-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Namebis(6-propan-2-yl-2-pyridinyl)methanone
PubChem CID150446878
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Namebis(6-propan-2-yl-2-pyridinyl)methanone
SMILESCC(C)c1cccc(C(=O)c2cccc(C(C)C)n2)n1
InChIInChI=1S/C17H20N2O/c1-11(2)13-7-5-9-15(18-13)17(20)16-10-6-8-14(19-16)12(3)4/h5-12H,1-4H3
InChIKeyHMYGYFHBHRTUAR-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(6-propan-2-yl-2-pyridinyl)methanone?
The IUPAC name of bis(6-propan-2-yl-2-pyridinyl)methanone (CID 150446878) is bis(6-propan-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for bis(6-propan-2-yl-2-pyridinyl)methanone?
The canonical SMILES for bis(6-propan-2-yl-2-pyridinyl)methanone is CC(C)c1cccc(C(=O)c2cccc(C(C)C)n2)n1.
What is the InChIKey of bis(6-propan-2-yl-2-pyridinyl)methanone?
The InChIKey is HMYGYFHBHRTUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11(2)13-7-5-9-15(18-13)17(20)16-10-6-8-14(19-16)12(3)4/h5-12H,1-4H3.
What are the key properties of bis(6-propan-2-yl-2-pyridinyl)methanone?
bis(6-propan-2-yl-2-pyridinyl)methanone has a molecular weight of 268.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-propan-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 150446878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).