5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one

C22H27NO2 — CID 58369551

IUPAC5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C)cc(C(=O)c2c(CC3CC3)c(C)[nH]c(=O)c2C(C)C)c1
InChIInChI=1S/C22H27NO2/c1-12(2)19-20(21(24)17-9-13(3)8-14(4)10-17)18(11-16-6-7-16)15(5)23-22(19)25/h8-10,12,16H,6-7,11H2,1-5H3,(H,23,25)
InChIKeyGBLRGWHZZJSEAN-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.61
Rot. Bonds5

About 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one

5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 58369551) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one
PubChem CID58369551
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C)cc(C(=O)c2c(CC3CC3)c(C)[nH]c(=O)c2C(C)C)c1
InChIInChI=1S/C22H27NO2/c1-12(2)19-20(21(24)17-9-13(3)8-14(4)10-17)18(11-16-6-7-16)15(5)23-22(19)25/h8-10,12,16H,6-7,11H2,1-5H3,(H,23,25)
InChIKeyGBLRGWHZZJSEAN-UHFFFAOYSA-N
XLogP4.61
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-oxo-5-propan-2-yl-1H-pyridin-2-yl]methyl acetate;3-[3-(cyclopropylmethyl)-2-(hydroxymethyl)-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]-5-methylbenzonitrile
CID 123335505
[1-[[4-(3,5-dimethylbenzoyl)-2-methyl-6-oxo-5-propan-2-yl-1H-pyridin-3-yl]methyl]cyclopropyl]methyl acetate
CID 58369540
5-[2-(cyanomethyl)-3-(cyclopropylmethyl)-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile
CID 44611737
3-amino-5-[3-(cyclopropylmethyl)-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzonitrile;5-[3-[(1-cyanocyclopropyl)methyl]-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile;5-[3-[(1-hydroxycyclopropyl)methyl]-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile;5-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile
CID 158173481
5-[3-[(1-hydroxycyclopropyl)methyl]-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile
CID 44611866
1-(cyclopropylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 70207787
5-[[3-(cyclopropylmethyl)-2-methyl-6-oxo-5-propan-2-yl-1H-pyridin-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 44611990
6-(3,5-dimethylbenzoyl)-1-(oxiran-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 15957811
3-chloro-5-[[3-(cyclopropylmethyl)-2-methyl-6-oxo-5-propan-2-yl-1H-pyridin-4-yl]oxy]benzonitrile
CID 44611991
6-(3,5-dimethylbenzoyl)-1-(2-hydroxyethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203503
1-butyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203491
5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile
CID 91274704

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one (CID 58369551) is 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one is Cc1cc(C)cc(C(=O)c2c(CC3CC3)c(C)[nH]c(=O)c2C(C)C)c1.
What is the InChIKey of 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is GBLRGWHZZJSEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-12(2)19-20(21(24)17-9-13(3)8-14(4)10-17)18(11-16-6-7-16)15(5)23-22(19)25/h8-10,12,16H,6-7,11H2,1-5H3,(H,23,25).
What are the key properties of 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one?
5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 337.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 58369551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).