N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C18H23N3O3 — CID 124854962

IUPACN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-3-13(2)16(12-22)19-17(23)11-21-18(24)10-9-15(20-21)14-7-5-4-6-8-14/h4-10,13,16,22H,3,11-12H2,1-2H3,(H,19,23)/t13-,16-/m0/s1
InChIKeyYFISLAGQEUULRQ-BBRMVZONSA-N
MW329.40 g/mol
LogP1.43
Rot. Bonds7

About N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 124854962) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID124854962
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-3-13(2)16(12-22)19-17(23)11-21-18(24)10-9-15(20-21)14-7-5-4-6-8-14/h4-10,13,16,22H,3,11-12H2,1-2H3,(H,19,23)/t13-,16-/m0/s1
InChIKeyYFISLAGQEUULRQ-BBRMVZONSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 121239764
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124615249
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035
(2S,3S)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 95394867
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 52508691
N-(3-oxo-1-phenylbutan-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 75479453

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 124854962) is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CC[C@H](C)[C@H](CO)NC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is YFISLAGQEUULRQ-BBRMVZONSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-13(2)16(12-22)19-17(23)11-21-18(24)10-9-15(20-21)14-7-5-4-6-8-14/h4-10,13,16,22H,3,11-12H2,1-2H3,(H,19,23)/t13-,16-/m0/s1.
What are the key properties of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 124854962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).