2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one

C20H27N5O2 — CID 127975170

IUPAC2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCc1nn(C)c(=O)c(C(=O)N2CCC(CN(C)Cc3cccnc3)C2)c1C
InChIInChI=1S/C20H27N5O2/c1-14-15(2)22-24(4)19(26)18(14)20(27)25-9-7-17(13-25)12-23(3)11-16-6-5-8-21-10-16/h5-6,8,10,17H,7,9,11-13H2,1-4H3
InChIKeySVDXHUJBLLJRGF-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.39
Rot. Bonds5

About 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one

2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 127975170) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID127975170
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCc1nn(C)c(=O)c(C(=O)N2CCC(CN(C)Cc3cccnc3)C2)c1C
InChIInChI=1S/C20H27N5O2/c1-14-15(2)22-24(4)19(26)18(14)20(27)25-9-7-17(13-25)12-23(3)11-16-6-5-8-21-10-16/h5-6,8,10,17H,7,9,11-13H2,1-4H3
InChIKeySVDXHUJBLLJRGF-UHFFFAOYSA-N
XLogP1.39
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one with MolForge

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Related Compounds

[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 128997703
(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129400971
(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129401079
4-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]benzonitrile
CID 129400968
(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 129342529
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401008
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
N-cyclopent-3-en-1-yl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 128997042
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998
(2S)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-methylsulfanylbutan-1-one
CID 129401051
2-(3-fluorophenyl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401045

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one (CID 127975170) is 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one is Cc1nn(C)c(=O)c(C(=O)N2CCC(CN(C)Cc3cccnc3)C2)c1C.
What is the InChIKey of 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is SVDXHUJBLLJRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-15(2)22-24(4)19(26)18(14)20(27)25-9-7-17(13-25)12-23(3)11-16-6-5-8-21-10-16/h5-6,8,10,17H,7,9,11-13H2,1-4H3.
What are the key properties of 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 369.47 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 127975170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).