2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one

C15H18N4O2 — CID 33265057

IUPAC2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCC[C@H]2c2ccncc2)CCC1=O
InChIInChI=1S/C15H18N4O2/c1-18-14(20)5-4-12(17-18)15(21)19-10-2-3-13(19)11-6-8-16-9-7-11/h6-9,13H,2-5,10H2,1H3/t13-/m0/s1
InChIKeyDNCFYUMIWAALEK-ZDUSSCGKSA-N
MW286.33 g/mol
LogP1.35
Rot. Bonds2

About 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 33265057) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID33265057
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCC[C@H]2c2ccncc2)CCC1=O
InChIInChI=1S/C15H18N4O2/c1-18-14(20)5-4-12(17-18)15(21)19-10-2-3-13(19)11-6-8-16-9-7-11/h6-9,13H,2-5,10H2,1H3/t13-/m0/s1
InChIKeyDNCFYUMIWAALEK-ZDUSSCGKSA-N
XLogP1.35
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 43059271
6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 37041328
3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43420594
6-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94185221
6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 38607968
(2R,3R)-2-methyl-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-3-carboxylic acid
CID 122116543
6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 138380751
6-[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94635684
1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)azepane-2-carboxylic acid
CID 64559358
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 33265057) is 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCC[C@H]2c2ccncc2)CCC1=O.
What is the InChIKey of 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is DNCFYUMIWAALEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-14(20)5-4-12(17-18)15(21)19-10-2-3-13(19)11-6-8-16-9-7-11/h6-9,13H,2-5,10H2,1H3/t13-/m0/s1.
What are the key properties of 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 286.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 33265057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).