N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide

C22H23N3O2 — CID 55581751

IUPACN-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-16(2)15-20(17-9-5-3-6-10-17)23-22(27)19-13-14-21(26)25(24-19)18-11-7-4-8-12-18/h3-14,16,20H,15H2,1-2H3,(H,23,27)
InChIKeyFGDXBILJKCPOIX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.75
Rot. Bonds6

About N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 55581751) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID55581751
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-16(2)15-20(17-9-5-3-6-10-17)23-22(27)19-13-14-21(26)25(24-19)18-11-7-4-8-12-18/h3-14,16,20H,15H2,1-2H3,(H,23,27)
InChIKeyFGDXBILJKCPOIX-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51941646
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51949577
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747
N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 167473447
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 55581751) is N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide is CC(C)CC(NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is FGDXBILJKCPOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(2)15-20(17-9-5-3-6-10-17)23-22(27)19-13-14-21(26)25(24-19)18-11-7-4-8-12-18/h3-14,16,20H,15H2,1-2H3,(H,23,27).
What are the key properties of N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 55581751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).