3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride

C13H22ClN5O — CID 120872944

IUPAC3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CCCN(c2cccnn2)C1.Cl
InChIInChI=1S/C13H21N5O.ClH/c1-10(14)8-13(19)16-11-4-3-7-18(9-11)12-5-2-6-15-17-12;/h2,5-6,10-11H,3-4,7-9,14H2,1H3,(H,16,19);1H
InChIKeyBVHXXSRHIFTYKC-UHFFFAOYSA-N
MW299.81 g/mol
LogP0.72
Rot. Bonds4

About 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride

3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride (PubChem CID 120872944) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
PubChem CID120872944
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CCCN(c2cccnn2)C1.Cl
InChIInChI=1S/C13H21N5O.ClH/c1-10(14)8-13(19)16-11-4-3-7-18(9-11)12-5-2-6-15-17-12;/h2,5-6,10-11H,3-4,7-9,14H2,1H3,(H,16,19);1H
InChIKeyBVHXXSRHIFTYKC-UHFFFAOYSA-N
XLogP0.72
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
CID 122137262
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 124859320
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95344749
3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
CID 124627039
3-chloro-2-fluoro-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
CID 124886342
methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate
CID 124616870
3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 120503791
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride (CID 120872944) is 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride is CC(N)CC(=O)NC1CCCN(c2cccnn2)C1.Cl.
What is the InChIKey of 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride?
The InChIKey is BVHXXSRHIFTYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O.ClH/c1-10(14)8-13(19)16-11-4-3-7-18(9-11)12-5-2-6-15-17-12;/h2,5-6,10-11H,3-4,7-9,14H2,1H3,(H,16,19);1H.
What are the key properties of 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride?
3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 120872944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).