1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one

C25H31N3O2 — CID 53318595

IUPAC1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCCN(CC)CCN(C)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C25H31N3O2/c1-4-27(5-2)18-17-26(3)22-11-13-23(14-12-22)28-16-15-24(19-25(28)29)30-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
InChIKeyYZYWRIRBKREDKI-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.19
Rot. Bonds10

About 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one

1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 53318595) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID53318595
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCCN(CC)CCN(C)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C25H31N3O2/c1-4-27(5-2)18-17-26(3)22-11-13-23(14-12-22)28-16-15-24(19-25(28)29)30-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
InChIKeyYZYWRIRBKREDKI-UHFFFAOYSA-N
XLogP4.19
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 24780171
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 143424274
1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163
1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 71080950
1-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]piperidine-4-carboxamide
CID 24780737
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one
CID 24951464

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one (CID 53318595) is 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one is CCN(CC)CCN(C)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is YZYWRIRBKREDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-4-27(5-2)18-17-26(3)22-11-13-23(14-12-22)28-16-15-24(19-25(28)29)30-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3.
What are the key properties of 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 405.54 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 53318595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).