(4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone

C19H24N4O — CID 109113330

IUPAC(4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone
SMILESCC1CCN(C(=O)c2ccc(NC(C)c3ccccc3)nn2)CC1
InChIInChI=1S/C19H24N4O/c1-14-10-12-23(13-11-14)19(24)17-8-9-18(22-21-17)20-15(2)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,20,22)
InChIKeyAACSIPAVLMASRH-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.52
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone

(4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone (PubChem CID 109113330) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone
PubChem CID109113330
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone
SMILESCC1CCN(C(=O)c2ccc(NC(C)c3ccccc3)nn2)CC1
InChIInChI=1S/C19H24N4O/c1-14-10-12-23(13-11-14)19(24)17-8-9-18(22-21-17)20-15(2)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,20,22)
InChIKeyAACSIPAVLMASRH-UHFFFAOYSA-N
XLogP3.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-(1-phenylethylamino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117215
(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109111350
[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113327
(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200329
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113489
[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113392
(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502396
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109345995
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone (CID 109113330) is (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone is CC1CCN(C(=O)c2ccc(NC(C)c3ccccc3)nn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone?
The InChIKey is AACSIPAVLMASRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-10-12-23(13-11-14)19(24)17-8-9-18(22-21-17)20-15(2)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,20,22).
What are the key properties of (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109113330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).