4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one

C21H22N2O2 — CID 24780169

IUPAC4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
SMILESCCCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-2-13-22-18-8-10-19(11-9-18)23-14-12-20(15-21(23)24)25-16-17-6-4-3-5-7-17/h3-12,14-15,22H,2,13,16H2,1H3
InChIKeyZLBRVVXOIXDYCQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.24
Rot. Bonds7

About 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one

4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one (PubChem CID 24780169) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
PubChem CID24780169
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
SMILESCCCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-2-13-22-18-8-10-19(11-9-18)23-14-12-20(15-21(23)24)25-16-17-6-4-3-5-7-17/h3-12,14-15,22H,2,13,16H2,1H3
InChIKeyZLBRVVXOIXDYCQ-UHFFFAOYSA-N
XLogP4.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 24780171
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
1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane
CID 143751108
[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
1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 143424274
1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 59704425
1-(5-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one
CID 90292347

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one?
The IUPAC name of 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one (CID 24780169) is 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one.
What is the SMILES notation for 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one?
The canonical SMILES for 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one is CCCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one?
The InChIKey is ZLBRVVXOIXDYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-13-22-18-8-10-19(11-9-18)23-14-12-20(15-21(23)24)25-16-17-6-4-3-5-7-17/h3-12,14-15,22H,2,13,16H2,1H3.
What are the key properties of 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one?
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one has a molecular weight of 334.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one is sourced from PubChem (CID 24780169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).