N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide

C20H28N4O2 — CID 71248335

IUPACN-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide
SMILESCCn1nc(-c2cccc(CC(=O)NCCCCN(C)C)c2)ccc1=O
InChIInChI=1S/C20H28N4O2/c1-4-24-20(26)11-10-18(22-24)17-9-7-8-16(14-17)15-19(25)21-12-5-6-13-23(2)3/h7-11,14H,4-6,12-13,15H2,1-3H3,(H,21,25)
InChIKeyCHEAGQKQVSOBCU-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.93
Rot. Bonds9

About N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide

N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide (PubChem CID 71248335) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide
PubChem CID71248335
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide
SMILESCCn1nc(-c2cccc(CC(=O)NCCCCN(C)C)c2)ccc1=O
InChIInChI=1S/C20H28N4O2/c1-4-24-20(26)11-10-18(22-24)17-9-7-8-16(14-17)15-19(25)21-12-5-6-13-23(2)3/h7-11,14H,4-6,12-13,15H2,1-3H3,(H,21,25)
InChIKeyCHEAGQKQVSOBCU-UHFFFAOYSA-N
XLogP1.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide
CID 71248336
ethyl N-[3-[[3-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59406722
ethyl N-[3-[[3-[3-[2-(4-hydroxybutylamino)-2-oxoethyl]phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59406656
3-(dimethylamino)propyl 2-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate
CID 159553230
3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate
CID 158499857
1-[3-[[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-[3-(dimethylamino)propyl]urea
CID 59849767
3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366175
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 3224474
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 18569696
N-[2-(dimethylamino)ethyl]-2-[3-[[6-oxo-3-(3,4,5-trifluorophenyl)pyridazin-1-yl]methyl]phenyl]pyrimidine-5-carboxamide
CID 25173623
3-(dimethylamino)propyl N-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747499

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide (CID 71248335) is N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide is CCn1nc(-c2cccc(CC(=O)NCCCCN(C)C)c2)ccc1=O.
What is the InChIKey of N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide?
The InChIKey is CHEAGQKQVSOBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-24-20(26)11-10-18(22-24)17-9-7-8-16(14-17)15-19(25)21-12-5-6-13-23(2)3/h7-11,14H,4-6,12-13,15H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide?
N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 71248335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).