(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone

C15H16N2O — CID 59744024

IUPAC(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccccn2)cn1
InChIInChI=1S/C15H16N2O/c1-15(2,3)13-8-7-11(10-17-13)14(18)12-6-4-5-9-16-12/h4-10H,1-3H3
InChIKeyYMXDWYJBFNBKHJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.01
Rot. Bonds2

About (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone

(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone (PubChem CID 59744024) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone
PubChem CID59744024
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccccn2)cn1
InChIInChI=1S/C15H16N2O/c1-15(2,3)13-8-7-11(10-17-13)14(18)12-6-4-5-9-16-12/h4-10H,1-3H3
InChIKeyYMXDWYJBFNBKHJ-UHFFFAOYSA-N
XLogP3.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butylpyridine-3-carboxamide;ethane
CID 144695705
(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
CID 3015591
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
copper;bis(phenyl(pyridin-2-yl)methanone);diisothiocyanate
CID 139144534
(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone
CID 142091739
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118853780
azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone
CID 59743869
2-tert-butylpyridine;ethane;methane
CID 143332153
CID 173156131
CID 173156131
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone?
The IUPAC name of (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone (CID 59744024) is (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone?
The canonical SMILES for (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone is CC(C)(C)c1ccc(C(=O)c2ccccn2)cn1.
What is the InChIKey of (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone?
The InChIKey is YMXDWYJBFNBKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-15(2,3)13-8-7-11(10-17-13)14(18)12-6-4-5-9-16-12/h4-10H,1-3H3.
What are the key properties of (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone?
(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone has a molecular weight of 240.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 59744024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).