5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one

C19H24N2O — CID 134258609

IUPAC5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(C)c(=O)n(C)c2)ccc1C1(N(C)C)CC1
InChIInChI=1S/C19H24N2O/c1-13-10-15(16-11-14(2)18(22)21(5)12-16)6-7-17(13)19(8-9-19)20(3)4/h6-7,10-12H,8-9H2,1-5H3
InChIKeyQAYHUAPGUNTHJN-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.22
Rot. Bonds3

About 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one

5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 134258609) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one
PubChem CID134258609
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(C)c(=O)n(C)c2)ccc1C1(N(C)C)CC1
InChIInChI=1S/C19H24N2O/c1-13-10-15(16-11-14(2)18(22)21(5)12-16)6-7-17(13)19(8-9-19)20(3)4/h6-7,10-12H,8-9H2,1-5H3
InChIKeyQAYHUAPGUNTHJN-UHFFFAOYSA-N
XLogP3.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258559
5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
CID 126582767
5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258642
1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one
CID 134247808
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one
CID 126572990
1,3-dimethyl-5-[3-(N-methylanilino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070909
5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one
CID 134258720
5-[3-methoxy-4-[(5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)methyl]phenyl]-1,3-dimethylpyridin-2-one
CID 167131888
chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one
CID 145148149
6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane
CID 145297524
N-[4-(dimethylamino)butyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 167131780

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one (CID 134258609) is 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc(C)c(=O)n(C)c2)ccc1C1(N(C)C)CC1.
What is the InChIKey of 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is QAYHUAPGUNTHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-10-15(16-11-14(2)18(22)21(5)12-16)6-7-17(13)19(8-9-19)20(3)4/h6-7,10-12H,8-9H2,1-5H3.
What are the key properties of 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one?
5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 296.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134258609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).