5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one

C19H23N3O2 — CID 167131862

IUPAC5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)ccc1CN1CC2NCC21
InChIInChI=1S/C19H23N3O2/c1-12-6-15(9-21(2)19(12)23)13-4-5-14(18(7-13)24-3)10-22-11-16-17(22)8-20-16/h4-7,9,16-17,20H,8,10-11H2,1-3H3
InChIKeyVYUYUHVQLWTEII-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.53
Rot. Bonds4

About 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one

5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 167131862) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
PubChem CID167131862
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)ccc1CN1CC2NCC21
InChIInChI=1S/C19H23N3O2/c1-12-6-15(9-21(2)19(12)23)13-4-5-14(18(7-13)24-3)10-22-11-16-17(22)8-20-16/h4-7,9,16-17,20H,8,10-11H2,1-3H3
InChIKeyVYUYUHVQLWTEII-UHFFFAOYSA-N
XLogP1.53
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one with MolForge

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Related Compounds

5-[3-methoxy-4-[(5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)methyl]phenyl]-1,3-dimethylpyridin-2-one
CID 167131888
5-[4-[[(4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
CID 134258604
5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one
CID 134258720
chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one
CID 145148149
5-[4-(2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
CID 145148156
5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
5-[4-[[4-[(3-fluorobenzimidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
CID 167131952
1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one
CID 134247808
1-[[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]azetidine-3-carboxylic acid;ethane
CID 154672542
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
N-[4-(dimethylamino)butyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 167131780
5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134258609

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one (CID 167131862) is 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one is COc1cc(-c2cc(C)c(=O)n(C)c2)ccc1CN1CC2NCC21.
What is the InChIKey of 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is VYUYUHVQLWTEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-6-15(9-21(2)19(12)23)13-4-5-14(18(7-13)24-3)10-22-11-16-17(22)8-20-16/h4-7,9,16-17,20H,8,10-11H2,1-3H3.
What are the key properties of 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one?
5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 167131862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).