1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one

C22H25N3O2 — CID 24780171

IUPAC1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C22H25N3O2/c1-24(2)15-13-23-19-8-10-20(11-9-19)25-14-12-21(16-22(25)26)27-17-18-6-4-3-5-7-18/h3-12,14,16,23H,13,15,17H2,1-2H3
InChIKeyWZKCPXIAWCDGDV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.39
Rot. Bonds8

About 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one

1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 24780171) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID24780171
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C22H25N3O2/c1-24(2)15-13-23-19-8-10-20(11-9-19)25-14-12-21(16-22(25)26)27-17-18-6-4-3-5-7-18/h3-12,14,16,23H,13,15,17H2,1-2H3
InChIKeyWZKCPXIAWCDGDV-UHFFFAOYSA-N
XLogP3.39
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 82096405
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 53318595
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
[2-methoxy-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl] trifluoromethanesulfonate
CID 59187052
1-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]piperidine-4-carboxamide
CID 24780737
5-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109229412
2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 108994541
1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one (CID 24780171) is 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one is CN(C)CCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is WZKCPXIAWCDGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24(2)15-13-23-19-8-10-20(11-9-19)25-14-12-21(16-22(25)26)27-17-18-6-4-3-5-7-18/h3-12,14,16,23H,13,15,17H2,1-2H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 24780171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).