[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone

C14H22N4O — CID 62204390

IUPAC[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccc(NC)nn2)CC1
InChIInChI=1S/C14H22N4O/c1-3-4-11-7-9-18(10-8-11)14(19)12-5-6-13(15-2)17-16-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeyDYGOXLHOBBXBNN-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.17
Rot. Bonds4

About [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone

[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone (PubChem CID 62204390) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
PubChem CID62204390
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccc(NC)nn2)CC1
InChIInChI=1S/C14H22N4O/c1-3-4-11-7-9-18(10-8-11)14(19)12-5-6-13(15-2)17-16-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeyDYGOXLHOBBXBNN-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 62992096
[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 62232698
(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502396
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109111350
[6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64581169
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62177839
(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone
CID 102969358
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849

Frequently Asked Questions

What is the IUPAC name of [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone (CID 62204390) is [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2ccc(NC)nn2)CC1.
What is the InChIKey of [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone?
The InChIKey is DYGOXLHOBBXBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-4-11-7-9-18(10-8-11)14(19)12-5-6-13(15-2)17-16-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17).
What are the key properties of [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone?
[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 62204390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).