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

C19H29N5O3 — CID 72940523

IUPAC5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCCCC2CCN2CCCC2=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
InChIKeyLJPHUXVTAIVYOM-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.70
Rot. Bonds6

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

5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 72940523) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
PubChem CID72940523
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCCCC2CCN2CCCC2=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
InChIKeyLJPHUXVTAIVYOM-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one (CID 72940523) is 5-(dimethylamino)-2-[2-oxo-2-[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-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one is CN(C)c1cnn(CC(=O)N2CCCCC2CCN2CCCC2=O)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is LJPHUXVTAIVYOM-UHFFFAOYSA-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.
What are the key properties of 5-(dimethylamino)-2-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-oxo-2-[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-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 72940523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).