N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide

C22H28N6O2 — CID 90517883

IUPACN-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)n2nc(-n3nc(C)cc3C)ccc2=O)cc1
InChIInChI=1S/C22H28N6O2/c1-6-26(7-2)19-10-8-18(9-11-19)23-22(30)17(5)28-21(29)13-12-20(25-28)27-16(4)14-15(3)24-27/h8-14,17H,6-7H2,1-5H3,(H,23,30)
InChIKeyFDALXXZNTRWJEL-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.09
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide

N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 90517883) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID90517883
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)n2nc(-n3nc(C)cc3C)ccc2=O)cc1
InChIInChI=1S/C22H28N6O2/c1-6-26(7-2)19-10-8-18(9-11-19)23-22(30)17(5)28-21(29)13-12-20(25-28)27-16(4)14-15(3)24-27/h8-14,17H,6-7H2,1-5H3,(H,23,30)
InChIKeyFDALXXZNTRWJEL-UHFFFAOYSA-N
XLogP3.09
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517965
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 90517991
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-pyridin-3-ylpropanamide
CID 90517905
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 90517885
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[3-(methanesulfonamido)phenyl]propanamide
CID 56724636
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517903
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 90517884
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121614
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
CID 97354779
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 90518057
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 90518053
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 90517873

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide (CID 90517883) is N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide is CCN(CC)c1ccc(NC(=O)C(C)n2nc(-n3nc(C)cc3C)ccc2=O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is FDALXXZNTRWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-6-26(7-2)19-10-8-18(9-11-19)23-22(30)17(5)28-21(29)13-12-20(25-28)27-16(4)14-15(3)24-27/h8-14,17H,6-7H2,1-5H3,(H,23,30).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?
N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 408.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 90517883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).