5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one

C19H29N5O3 — CID 97286609

IUPAC5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(=O)c1
InChIInChI=1S/C19H29N5O3/c1-21(2)16-12-18(26)24(20-13-16)14-19(27)23-10-4-3-6-15(23)8-11-22-9-5-7-17(22)25/h12-13,15H,3-11,14H2,1-2H3/t15-/m0/s1
InChIKeyLJPHUXVTAIVYOM-HNNXBMFYSA-N
MW375.47 g/mol
LogP0.70
Rot. Bonds6

About 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 97286609) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
PubChem CID97286609
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(=O)c1
InChIInChI=1S/C19H29N5O3/c1-21(2)16-12-18(26)24(20-13-16)14-19(27)23-10-4-3-6-15(23)8-11-22-9-5-7-17(22)25/h12-13,15H,3-11,14H2,1-2H3/t15-/m0/s1
InChIKeyLJPHUXVTAIVYOM-HNNXBMFYSA-N
XLogP0.70
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70777268
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
CID 72838190
5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 97277231
1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97115498
5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 45245591
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 39954212
6-methyl-1-[3-oxo-3-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyridin-2-one
CID 72841430
1-[2-[2-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63249417
1-[2-[(2S)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124842042
5-(dimethylamino)-2-[2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 97284720
1-[2-[(2S)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 95718632
1-[2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95766670

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one (CID 97286609) is 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one is CN(C)c1cnn(CC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is LJPHUXVTAIVYOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-21(2)16-12-18(26)24(20-13-16)14-19(27)23-10-4-3-6-15(23)8-11-22-9-5-7-17(22)25/h12-13,15H,3-11,14H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 375.47 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 97286609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).