3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide

C19H25N5O — CID 120613030

IUPAC3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
SMILESCN(C(=O)CCc1ccccc1N)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H25N5O/c1-23(19(25)11-10-15-6-2-3-8-17(15)20)16-7-5-13-24(14-16)18-9-4-12-21-22-18/h2-4,6,8-9,12,16H,5,7,10-11,13-14,20H2,1H3
InChIKeyVSCKXLWDAXYUGY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.12
Rot. Bonds5

About 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide

3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide (PubChem CID 120613030) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
PubChem CID120613030
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
SMILESCN(C(=O)CCc1ccccc1N)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H25N5O/c1-23(19(25)11-10-15-6-2-3-8-17(15)20)16-7-5-13-24(14-16)18-9-4-12-21-22-18/h2-4,6,8-9,12,16H,5,7,10-11,13-14,20H2,1H3
InChIKeyVSCKXLWDAXYUGY-UHFFFAOYSA-N
XLogP2.12
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 120503791
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 119879672
N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124997513
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
CID 120800140
3-[(2-fluoro-5-methylphenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 174344336
3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124985299
2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 126780099
3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide
CID 124947513

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide (CID 120613030) is 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide is CN(C(=O)CCc1ccccc1N)C1CCCN(c2cccnn2)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide?
The InChIKey is VSCKXLWDAXYUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23(19(25)11-10-15-6-2-3-8-17(15)20)16-7-5-13-24(14-16)18-9-4-12-21-22-18/h2-4,6,8-9,12,16H,5,7,10-11,13-14,20H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide?
3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120613030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).