(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide

C24H26N4O3 — CID 95054506

IUPAC(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccccc1)n1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O
InChIInChI=1S/C24H26N4O3/c1-4-21(23(30)25-18-13-9-6-10-14-18)28-24(31)20(26-22(29)16(2)3)15-19(27-28)17-11-7-5-8-12-17/h5-16,21H,4H2,1-3H3,(H,25,30)(H,26,29)/t21-/m1/s1
InChIKeyAHTUKSNTRZHUQD-OAQYLSRUSA-N
MW418.50 g/mol
LogP4.09
Rot. Bonds7

About (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide

(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide (PubChem CID 95054506) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide
PubChem CID95054506
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccccc1)n1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O
InChIInChI=1S/C24H26N4O3/c1-4-21(23(30)25-18-13-9-6-10-14-18)28-24(31)20(26-22(29)16(2)3)15-19(27-28)17-11-7-5-8-12-17/h5-16,21H,4H2,1-3H3,(H,25,30)(H,26,29)/t21-/m1/s1
InChIKeyAHTUKSNTRZHUQD-OAQYLSRUSA-N
XLogP4.09
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide
CID 50813191
(2S)-2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 95054473
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide
CID 50813124
2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813225
(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623281
N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813236
N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813235
N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 25249749
(2R)-N-(2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623427
(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide
CID 94069808
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 5064719
N-[2-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]benzamide
CID 50813083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide?
The IUPAC name of (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide (CID 95054506) is (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide.
What is the SMILES notation for (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide?
The canonical SMILES for (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide is CC[C@H](C(=O)Nc1ccccc1)n1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O.
What is the InChIKey of (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide?
The InChIKey is AHTUKSNTRZHUQD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-4-21(23(30)25-18-13-9-6-10-14-18)28-24(31)20(26-22(29)16(2)3)15-19(27-28)17-11-7-5-8-12-17/h5-16,21H,4H2,1-3H3,(H,25,30)(H,26,29)/t21-/m1/s1.
What are the key properties of (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide?
(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide has a molecular weight of 418.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide is sourced from PubChem (CID 95054506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).