(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone

C14H22N4O — CID 104668832

IUPAC(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone
SMILESCCNC1CCCN(C(=O)c2cc(C)nnc2C)C1
InChIInChI=1S/C14H22N4O/c1-4-15-12-6-5-7-18(9-12)14(19)13-8-10(2)16-17-11(13)3/h8,12,15H,4-7,9H2,1-3H3
InChIKeyFIFWMGQBEDGNSA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.31
Rot. Bonds3

About (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone

(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone (PubChem CID 104668832) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone
PubChem CID104668832
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone
SMILESCCNC1CCCN(C(=O)c2cc(C)nnc2C)C1
InChIInChI=1S/C14H22N4O/c1-4-15-12-6-5-7-18(9-12)14(19)13-8-10(2)16-17-11(13)3/h8,12,15H,4-7,9H2,1-3H3
InChIKeyFIFWMGQBEDGNSA-UHFFFAOYSA-N
XLogP1.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82827096
(3-chloropyrrolidin-1-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 104672469
(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103879517
(3,6-dimethylpyridazin-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115877445
(3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 113439512
(3-bromo-4-methylpiperidin-1-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 102962420
(3,6-dimethylpyridazin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104671172
[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510154
[4-(1-chloroethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 106838983
(3,6-dimethylpyridazin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104671185
1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidine-3-carbothioamide
CID 104670482
(3-ethyl-6-methylpyridazin-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 104625716

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone (CID 104668832) is (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone is CCNC1CCCN(C(=O)c2cc(C)nnc2C)C1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone?
The InChIKey is FIFWMGQBEDGNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-15-12-6-5-7-18(9-12)14(19)13-8-10(2)16-17-11(13)3/h8,12,15H,4-7,9H2,1-3H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone?
(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 104668832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).