3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride

C13H23Cl2N5O — CID 119879707

IUPAC3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
SMILESCN(C(=O)CCN)C1CCCN(c2cccnn2)C1.Cl.Cl
InChIInChI=1S/C13H21N5O.2ClH/c1-17(13(19)6-7-14)11-4-3-9-18(10-11)12-5-2-8-15-16-12;;/h2,5,8,11H,3-4,6-7,9-10,14H2,1H3;2*1H
InChIKeyIEEANNFZUHIPCQ-UHFFFAOYSA-N
MW336.27 g/mol
LogP1.10
Rot. Bonds4

About 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride

3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride (PubChem CID 119879707) has the molecular formula C13H23Cl2N5O and a molecular weight of 336.27 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
PubChem CID119879707
Molecular FormulaC13H23Cl2N5O
Molecular Weight336.27 g/mol
Exact Mass335.13
IUPAC Name3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
SMILESCN(C(=O)CCN)C1CCCN(c2cccnn2)C1.Cl.Cl
InChIInChI=1S/C13H21N5O.2ClH/c1-17(13(19)6-7-14)11-4-3-9-18(10-11)12-5-2-8-15-16-12;;/h2,5,8,11H,3-4,6-7,9-10,14H2,1H3;2*1H
InChIKeyIEEANNFZUHIPCQ-UHFFFAOYSA-N
XLogP1.10
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
CID 120613030
3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 120503791
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
CID 120800140
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 119879672
3-[(3,4-difluorophenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119679
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)morpholine-2-carboxamide;dihydrochloride
CID 119879699
4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119879691
N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 126780099
3-[(2-fluoro-5-methylphenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 174344336
3-[(3,4-dimethylphenyl)methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174344195
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174348265

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride (CID 119879707) is 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride is CN(C(=O)CCN)C1CCCN(c2cccnn2)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride?
The InChIKey is IEEANNFZUHIPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O.2ClH/c1-17(13(19)6-7-14)11-4-3-9-18(10-11)12-5-2-8-15-16-12;;/h2,5,8,11H,3-4,6-7,9-10,14H2,1H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride?
3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride has a molecular weight of 336.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119879707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).