1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one

C14H14N2O — CID 105122781

IUPAC1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
SMILESCc1cncc(C(=O)CCc2cccnc2)c1
InChIInChI=1S/C14H14N2O/c1-11-7-13(10-16-8-11)14(17)5-4-12-3-2-6-15-9-12/h2-3,6-10H,4-5H2,1H3
InChIKeyYQDQGILVPQOUOY-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.60
Rot. Bonds4

About 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one

1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one (PubChem CID 105122781) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
PubChem CID105122781
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
SMILESCc1cncc(C(=O)CCc2cccnc2)c1
InChIInChI=1S/C14H14N2O/c1-11-7-13(10-16-8-11)14(17)5-4-12-3-2-6-15-9-12/h2-3,6-10H,4-5H2,1H3
InChIKeyYQDQGILVPQOUOY-UHFFFAOYSA-N
XLogP2.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
CID 105093184
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
3-ethyl-6-methyl-5-[5-(3-pyridin-3-ylpropanoyl)-3-pyridinyl]-1H-pyridin-2-one
CID 158794087
N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 50980220
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one
CID 115373880
1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105113721
3-(3-methylphenyl)-1-pyrimidin-5-ylpropan-1-one
CID 105085449

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one (CID 105122781) is 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one is Cc1cncc(C(=O)CCc2cccnc2)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is YQDQGILVPQOUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-7-13(10-16-8-11)14(17)5-4-12-3-2-6-15-9-12/h2-3,6-10H,4-5H2,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one?
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 105122781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).