2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one

C17H28N4O2 — CID 71927873

IUPAC2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CC(CC)C(N(C)C)C2)ccc1=O
InChIInChI=1S/C17H28N4O2/c1-5-7-10-21-16(22)9-8-14(18-21)17(23)20-11-13(6-2)15(12-20)19(3)4/h8-9,13,15H,5-7,10-12H2,1-4H3
InChIKeyRKFXJXMSGWSSFC-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.46
Rot. Bonds6

About 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one

2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 71927873) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID71927873
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CC(CC)C(N(C)C)C2)ccc1=O
InChIInChI=1S/C17H28N4O2/c1-5-7-10-21-16(22)9-8-14(18-21)17(23)20-11-13(6-2)15(12-20)19(3)4/h8-9,13,15H,5-7,10-12H2,1-4H3
InChIKeyRKFXJXMSGWSSFC-UHFFFAOYSA-N
XLogP1.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-{(3S*,4R*)-4-isopropyl-1-[(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)carbonyl]pyrrolidin-3-yl}-N,N-dimethylsulfamide
CID 72837604
N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 52564125
6-(2,2-Dipropylpyrrolidine-1-carbonyl)-2-ethylpyridazin-3-one
CID 132395175
6-Methyl-2-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126864126
6-methyl-2-(1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl)pyridazin-3(2H)-one
CID 49704624
N-Cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-1,6-dihydropyridazin-1-YL]acetamide
CID 51695246
3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 153429378
N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 43074948
2-isopropyl-6-(pyrrolidine-1-carbonyl)pyridazin-3(2H)-one
CID 44012513
2-(2-Methylpropyl)-6-(pyrrolidine-1-carbonyl)pyridazin-3-one
CID 44012898
6-[9-(2,2-Dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one
CID 45249302
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 45819160

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one (CID 71927873) is 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one is CCCCn1nc(C(=O)N2CC(CC)C(N(C)C)C2)ccc1=O.
What is the InChIKey of 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is RKFXJXMSGWSSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-7-10-21-16(22)9-8-14(18-21)17(23)20-11-13(6-2)15(12-20)19(3)4/h8-9,13,15H,5-7,10-12H2,1-4H3.
What are the key properties of 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one?
2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 320.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 71927873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).