3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

C23H25N3O2 — CID 51366020

IUPAC3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)CCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C23H25N3O2/c1-17(2)19-10-8-18(9-11-19)16-24-22(27)14-15-26-23(28)13-12-21(25-26)20-6-4-3-5-7-20/h3-13,17H,14-16H2,1-2H3,(H,24,27)
InChIKeyVIPGAVQKOJRJMN-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.74
Rot. Bonds7

About 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 51366020) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID51366020
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)CCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C23H25N3O2/c1-17(2)19-10-8-18(9-11-19)16-24-22(27)14-15-26-23(28)13-12-21(25-26)20-6-4-3-5-7-20/h3-13,17H,14-16H2,1-2H3,(H,24,27)
InChIKeyVIPGAVQKOJRJMN-UHFFFAOYSA-N
XLogP3.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 51366165
N-(1,3-benzodioxol-5-ylmethyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156989
N-[2-(4-chlorophenyl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156985
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332287
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55841099
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 71825211
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 16885732
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 51366020) is 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)c1ccc(CNC(=O)CCn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is VIPGAVQKOJRJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(2)19-10-8-18(9-11-19)16-24-22(27)14-15-26-23(28)13-12-21(25-26)20-6-4-3-5-7-20/h3-13,17H,14-16H2,1-2H3,(H,24,27).
What are the key properties of 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 51366020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).