3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

C17H21N5O2 — CID 125023343

IUPAC3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCN(C)c1cc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)ccn1
InChIInChI=1S/C17H21N5O2/c1-21(2)15-10-12(7-8-18-15)13-4-3-9-22(11-13)17(24)14-5-6-16(23)20-19-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyYXMVTWWWANQANI-ZDUSSCGKSA-N
MW327.39 g/mol
LogP1.25
Rot. Bonds3

About 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 125023343) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID125023343
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCN(C)c1cc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)ccn1
InChIInChI=1S/C17H21N5O2/c1-21(2)15-10-12(7-8-18-15)13-4-3-9-22(11-13)17(24)14-5-6-16(23)20-19-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyYXMVTWWWANQANI-ZDUSSCGKSA-N
XLogP1.25
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one with MolForge

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Related Compounds

3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 124972441
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 125027034
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
CID 78919715
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
[4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 110271497

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 125023343) is 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is CN(C)c1cc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)ccn1.
What is the InChIKey of 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is YXMVTWWWANQANI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21(2)15-10-12(7-8-18-15)13-4-3-9-22(11-13)17(24)14-5-6-16(23)20-19-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 327.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 125023343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).