4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide

C21H18N2O3 — CID 110425632

IUPAC4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
SMILESO=C(CCC(=O)c1cccnc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-20(16-5-4-14-22-15-16)12-13-21(25)23-17-8-10-19(11-9-17)26-18-6-2-1-3-7-18/h1-11,14-15H,12-13H2,(H,23,25)
InChIKeyYDGGKTAWKWOWHY-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.48
Rot. Bonds7

About 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide

4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide (PubChem CID 110425632) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
PubChem CID110425632
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
SMILESO=C(CCC(=O)c1cccnc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-20(16-5-4-14-22-15-16)12-13-21(25)23-17-8-10-19(11-9-17)26-18-6-2-1-3-7-18/h1-11,14-15H,12-13H2,(H,23,25)
InChIKeyYDGGKTAWKWOWHY-UHFFFAOYSA-N
XLogP4.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622852
N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110620858
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide
CID 108742508
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110425405
4-oxo-N,4-diphenylbutanamide
CID 825307
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414010
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide
CID 147792744
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110623032
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide?
The IUPAC name of 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide (CID 110425632) is 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide?
The canonical SMILES for 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide is O=C(CCC(=O)c1cccnc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide?
The InChIKey is YDGGKTAWKWOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-20(16-5-4-14-22-15-16)12-13-21(25)23-17-8-10-19(11-9-17)26-18-6-2-1-3-7-18/h1-11,14-15H,12-13H2,(H,23,25).
What are the key properties of 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide?
4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide has a molecular weight of 346.39 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110425632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).