3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride

C14H25Cl2N5O — CID 120503792

IUPAC3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)C(C)C(=O)N1CCC(Nc2cccnn2)CC1.Cl.Cl
InChIInChI=1S/C14H23N5O.2ClH/c1-10(11(2)15)14(20)19-8-5-12(6-9-19)17-13-4-3-7-16-18-13;;/h3-4,7,10-12H,5-6,8-9,15H2,1-2H3,(H,17,18);2*1H
InChIKeyOQXPMWXOHCEDSF-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.71
Rot. Bonds4

About 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride

3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 120503792) has the molecular formula C14H25Cl2N5O and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
PubChem CID120503792
Molecular FormulaC14H25Cl2N5O
Molecular Weight350.29 g/mol
Exact Mass349.14
IUPAC Name3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)C(C)C(=O)N1CCC(Nc2cccnn2)CC1.Cl.Cl
InChIInChI=1S/C14H23N5O.2ClH/c1-10(11(2)15)14(20)19-8-5-12(6-9-19)17-13-4-3-7-16-18-13;;/h3-4,7,10-12H,5-6,8-9,15H2,1-2H3,(H,17,18);2*1H
InChIKeyOQXPMWXOHCEDSF-UHFFFAOYSA-N
XLogP1.71
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95601742
2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 122084290
N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide
CID 95601751
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide
CID 124619861
(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride
CID 120954788
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514
1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone
CID 144655820
4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride (CID 120503792) is 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride is CC(N)C(C)C(=O)N1CCC(Nc2cccnn2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is OQXPMWXOHCEDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.2ClH/c1-10(11(2)15)14(20)19-8-5-12(6-9-19)17-13-4-3-7-16-18-13;;/h3-4,7,10-12H,5-6,8-9,15H2,1-2H3,(H,17,18);2*1H.
What are the key properties of 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride?
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 120503792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).