3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C14H16N4O2 — CID 43420181

IUPAC3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCCC2c2cccnc2)=NN1
InChIInChI=1S/C14H16N4O2/c19-13-6-5-11(16-17-13)14(20)18-8-2-4-12(18)10-3-1-7-15-9-10/h1,3,7,9,12H,2,4-6,8H2,(H,17,19)
InChIKeyBJGNLHNPANZLKL-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.01
Rot. Bonds2

About 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 43420181) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID43420181
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCCC2c2cccnc2)=NN1
InChIInChI=1S/C14H16N4O2/c19-13-6-5-11(16-17-13)14(20)18-8-2-4-12(18)10-3-1-7-15-9-10/h1,3,7,9,12H,2,4-6,8H2,(H,17,19)
InChIKeyBJGNLHNPANZLKL-UHFFFAOYSA-N
XLogP1.01
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43420594
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 39154920
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65311628

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 43420181) is 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCCC2c2cccnc2)=NN1.
What is the InChIKey of 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is BJGNLHNPANZLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-6-5-11(16-17-13)14(20)18-8-2-4-12(18)10-3-1-7-15-9-10/h1,3,7,9,12H,2,4-6,8H2,(H,17,19).
What are the key properties of 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 272.31 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 43420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).