3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

C15H17N5O2 — CID 110105582

IUPAC3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCNc1cc(C2CCCN2C(=O)c2ccc(=O)[nH]n2)ccn1
InChIInChI=1S/C15H17N5O2/c1-16-13-9-10(6-7-17-13)12-3-2-8-20(12)15(22)11-4-5-14(21)19-18-11/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)(H,19,21)
InChIKeyZJPAGWORDIFEBB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.18
Rot. Bonds3

About 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110105582) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110105582
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCNc1cc(C2CCCN2C(=O)c2ccc(=O)[nH]n2)ccn1
InChIInChI=1S/C15H17N5O2/c1-16-13-9-10(6-7-17-13)12-3-2-8-20(12)15(22)11-4-5-14(21)19-18-11/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)(H,19,21)
InChIKeyZJPAGWORDIFEBB-UHFFFAOYSA-N
XLogP1.18
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124948233
3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 125007181
2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124989627
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 124995807
2-cyclopentyl-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246703
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 118741479
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125016079
2-(benzotriazol-2-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110105592
3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 110671096
2-(2-fluorophenoxy)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124965516

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (CID 110105582) is 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is CNc1cc(C2CCCN2C(=O)c2ccc(=O)[nH]n2)ccn1.
What is the InChIKey of 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is ZJPAGWORDIFEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-16-13-9-10(6-7-17-13)12-3-2-8-20(12)15(22)11-4-5-14(21)19-18-11/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)(H,19,21).
What are the key properties of 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 299.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110105582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).