2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide

C16H20N4O — CID 113041157

IUPAC2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(C)c2ccccc2)nn1
InChIInChI=1S/C16H20N4O/c1-11(2)16(21)18-15-10-9-14(19-20-15)17-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyKBHLWUYMDROCCM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.24
Rot. Bonds5

About 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide

2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide (PubChem CID 113041157) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
PubChem CID113041157
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(C)c2ccccc2)nn1
InChIInChI=1S/C16H20N4O/c1-11(2)16(21)18-15-10-9-14(19-20-15)17-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyKBHLWUYMDROCCM-UHFFFAOYSA-N
XLogP3.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
CID 113041159
N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041166
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197
N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113041198
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
CID 113041212
3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041180
1-[4-[6-(1-phenylethylamino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117215
N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide (CID 113041157) is 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide is CC(C)C(=O)Nc1ccc(NC(C)c2ccccc2)nn1.
What is the InChIKey of 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide?
The InChIKey is KBHLWUYMDROCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)16(21)18-15-10-9-14(19-20-15)17-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,17,19)(H,18,20,21).
What are the key properties of 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide?
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide is sourced from PubChem (CID 113041157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).