(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone

C16H17NO — CID 82730704

IUPAC(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H17NO/c1-4-13-6-5-9-17-15(13)16(18)14-10-11(2)7-8-12(14)3/h5-10H,4H2,1-3H3
InChIKeyQJEYNCDMQFDYGF-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.49
Rot. Bonds3

About (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone

(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone (PubChem CID 82730704) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone
PubChem CID82730704
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H17NO/c1-4-13-6-5-9-17-15(13)16(18)14-10-11(2)7-8-12(14)3/h5-10H,4H2,1-3H3
InChIKeyQJEYNCDMQFDYGF-UHFFFAOYSA-N
XLogP3.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128400
3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine
CID 178089923
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
CID 82729679
(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 103523114
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
CID 82730694
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
CID 61226450
(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone (CID 82730704) is (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone is CCc1cccnc1C(=O)c1cc(C)ccc1C.
What is the InChIKey of (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone?
The InChIKey is QJEYNCDMQFDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-4-13-6-5-9-17-15(13)16(18)14-10-11(2)7-8-12(14)3/h5-10H,4H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone?
(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone has a molecular weight of 239.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone is sourced from PubChem (CID 82730704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).