N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide

C20H26N4O3 — CID 95803082

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2nc3c(cc2=O)CO[C@H]3C)c(C)c1
InChIInChI=1S/C20H26N4O3/c1-5-23(6-2)16-7-8-17(13(3)9-16)21-18(25)11-24-19(26)10-15-12-27-14(4)20(15)22-24/h7-10,14H,5-6,11-12H2,1-4H3,(H,21,25)/t14-/m0/s1
InChIKeyXYRGZRJFLNDEJT-AWEZNQCLSA-N
MW370.45 g/mol
LogP2.63
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide (PubChem CID 95803082) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide
PubChem CID95803082
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2nc3c(cc2=O)CO[C@H]3C)c(C)c1
InChIInChI=1S/C20H26N4O3/c1-5-23(6-2)16-7-8-17(13(3)9-16)21-18(25)11-24-19(26)10-15-12-27-14(4)20(15)22-24/h7-10,14H,5-6,11-12H2,1-4H3,(H,21,25)/t14-/m0/s1
InChIKeyXYRGZRJFLNDEJT-AWEZNQCLSA-N
XLogP2.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052464
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
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N-[4-(diethylamino)-2-methylphenyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98367238
N-[4-(diethylamino)-2-methylphenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 4099042
N-[4-(diethylamino)-2-methylphenyl]-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
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CID 837078
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504667
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
N-[4-(diethylamino)-2-methylphenyl]-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 12004865

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide (CID 95803082) is N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide is CCN(CC)c1ccc(NC(=O)Cn2nc3c(cc2=O)CO[C@H]3C)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide?
The InChIKey is XYRGZRJFLNDEJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-23(6-2)16-7-8-17(13(3)9-16)21-18(25)11-24-19(26)10-15-12-27-14(4)20(15)22-24/h7-10,14H,5-6,11-12H2,1-4H3,(H,21,25)/t14-/m0/s1.
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]acetamide is sourced from PubChem (CID 95803082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).