3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide

C21H23N3O2 — CID 126458708

IUPAC3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN1N=C(c2ccccc2)CCC1=O)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16(17-8-4-2-5-9-17)22-20(25)14-15-24-21(26)13-12-19(23-24)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,22,25)
InChIKeyNICVIXGHTAQAGB-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.28
Rot. Bonds6

About 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide

3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 126458708) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID126458708
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN1N=C(c2ccccc2)CCC1=O)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16(17-8-4-2-5-9-17)22-20(25)14-15-24-21(26)13-12-19(23-24)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,22,25)
InChIKeyNICVIXGHTAQAGB-UHFFFAOYSA-N
XLogP3.28
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624459
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(2-phenylethyl)propanamide
CID 6624469
ethyl 4-[3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanoylamino]benzoate
CID 45106345
N-cyclopentyl-2-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethylamino]propanamide
CID 50970834
N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51164409
N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 45107088
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 42896543
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 27782319
4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55867468
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 135106333
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide (CID 126458708) is 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)CCN1N=C(c2ccccc2)CCC1=O)c1ccccc1.
What is the InChIKey of 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is NICVIXGHTAQAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(17-8-4-2-5-9-17)22-20(25)14-15-24-21(26)13-12-19(23-24)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,22,25).
What are the key properties of 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide?
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 126458708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).