4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one

C14H23N5O — CID 119879728

IUPAC4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
SMILESCNCCCC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C14H23N5O/c1-15-8-3-5-14(20)19-10-6-12(7-11-19)17-13-4-2-9-16-18-13/h2,4,9,12,15H,3,5-8,10-11H2,1H3,(H,17,18)
InChIKeyUYXMMXQCNKVTIF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.88
Rot. Bonds6

About 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one

4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one (PubChem CID 119879728) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
PubChem CID119879728
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
SMILESCNCCCC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C14H23N5O/c1-15-8-3-5-14(20)19-10-6-12(7-11-19)17-13-4-2-9-16-18-13/h2,4,9,12,15H,3,5-8,10-11H2,1H3,(H,17,18)
InChIKeyUYXMMXQCNKVTIF-UHFFFAOYSA-N
XLogP0.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95313391
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95350486
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503792
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95601742
(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 127300785
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 125136005
1-[1-[4-(methylamino)butanoyl]piperidin-4-yl]-3-phenylurea;hydrochloride
CID 119750416
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 56780016
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514
2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 122084290

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one (CID 119879728) is 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one is CNCCCC(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
The InChIKey is UYXMMXQCNKVTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-15-8-3-5-14(20)19-10-6-12(7-11-19)17-13-4-2-9-16-18-13/h2,4,9,12,15H,3,5-8,10-11H2,1H3,(H,17,18).
What are the key properties of 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one?
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one has a molecular weight of 277.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119879728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).