4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide

C25H20N2O3 — CID 147792744

IUPAC4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide
SMILESO=C(CCC(=O)c1cccc2ccccc12)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C25H20N2O3/c28-24(23-7-3-5-18-4-1-2-6-22(18)23)12-13-25(29)27-19-8-10-20(11-9-19)30-21-14-16-26-17-15-21/h1-11,14-17H,12-13H2,(H,27,29)
InChIKeyHJYOENBQPVSVEH-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.63
Rot. Bonds7

About 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide

4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide (PubChem CID 147792744) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide.

Molecular Properties

Compound Name4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide
PubChem CID147792744
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide
SMILESO=C(CCC(=O)c1cccc2ccccc12)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C25H20N2O3/c28-24(23-7-3-5-18-4-1-2-6-22(18)23)12-13-25(29)27-19-8-10-20(11-9-19)30-21-14-16-26-17-15-21/h1-11,14-17H,12-13H2,(H,27,29)
InChIKeyHJYOENBQPVSVEH-UHFFFAOYSA-N
XLogP5.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ave-0118
CID 9811357
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(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
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8-(1-Anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one
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CID 72546279

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide?
The IUPAC name of 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide (CID 147792744) is 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide.
What is the SMILES notation for 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide?
The canonical SMILES for 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide is O=C(CCC(=O)c1cccc2ccccc12)Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide?
The InChIKey is HJYOENBQPVSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c28-24(23-7-3-5-18-4-1-2-6-22(18)23)12-13-25(29)27-19-8-10-20(11-9-19)30-21-14-16-26-17-15-21/h1-11,14-17H,12-13H2,(H,27,29).
What are the key properties of 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide?
4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide has a molecular weight of 396.45 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide is sourced from PubChem (CID 147792744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).