2-methyl-1,2-dipyridin-3-ylpropan-1-one

C14H14N2O — CID 4174

💊View drug profile → metyrapone
IUPAC2-methyl-1,2-dipyridin-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
InChIKeyFJLBFSROUSIWMA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.64
Rot. Bonds3

About 2-methyl-1,2-dipyridin-3-ylpropan-1-one

2-methyl-1,2-dipyridin-3-ylpropan-1-one (PubChem CID 4174) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-1,2-dipyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1,2-dipyridin-3-ylpropan-1-one
PubChem CID4174
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-methyl-1,2-dipyridin-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
InChIKeyFJLBFSROUSIWMA-UHFFFAOYSA-N
XLogP2.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetylpyridine
CID 9589
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
4-Benzoylpyridine
CID 26731
Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
1,10-Phenanthroline-5,6-dione
CID 72810
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
3-Acetyl-6-methylpyridine
CID 95292
(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 6018993
(2E)-3-(3-Pyridinyl)-1-(4-pyridinyl)-2-propen-1-one
CID 5720233
5,8-Isoquinolinedione
CID 5766
Ethanedione, di-3-pyridinyl-
CID 260384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-dipyridin-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1,2-dipyridin-3-ylpropan-1-one (CID 4174) is 2-methyl-1,2-dipyridin-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1,2-dipyridin-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1,2-dipyridin-3-ylpropan-1-one is CC(C)(C(=O)c1cccnc1)c1cccnc1.
What is the InChIKey of 2-methyl-1,2-dipyridin-3-ylpropan-1-one?
The InChIKey is FJLBFSROUSIWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3.
What are the key properties of 2-methyl-1,2-dipyridin-3-ylpropan-1-one?
2-methyl-1,2-dipyridin-3-ylpropan-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-dipyridin-3-ylpropan-1-one is sourced from PubChem (CID 4174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).