1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one

C16H17NO — CID 58516070

IUPAC1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one
SMILESCc1cnc(C)c(C(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-11-9-15(13(3)17-10-11)16(18)12(2)14-7-5-4-6-8-14/h4-10,12H,1-3H3
InChIKeyIZETVDOSFDCGSJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.68
Rot. Bonds3

About 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one

1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one (PubChem CID 58516070) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one
PubChem CID58516070
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one
SMILESCc1cnc(C)c(C(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-11-9-15(13(3)17-10-11)16(18)12(2)14-7-5-4-6-8-14/h4-10,12H,1-3H3
InChIKeyIZETVDOSFDCGSJ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-phenylpyridine-3-carboxamide
CID 160655593
1-(3-methylphenyl)-2-phenylpropan-1-one
CID 13096072
3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
CID 116567110
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
CID 114029059
5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one
CID 66470642
2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one
CID 130610113
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
CID 114028759
N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3419355

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one?
The IUPAC name of 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one (CID 58516070) is 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one.
What is the SMILES notation for 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one?
The canonical SMILES for 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one is Cc1cnc(C)c(C(=O)C(C)c2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one?
The InChIKey is IZETVDOSFDCGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-9-15(13(3)17-10-11)16(18)12(2)14-7-5-4-6-8-14/h4-10,12H,1-3H3.
What are the key properties of 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one?
1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one is sourced from PubChem (CID 58516070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).