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

C20H20N4O — CID 113041168

IUPAC2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(C)c2ccccc2)nn1
InChIInChI=1S/C20H20N4O/c1-14-8-6-7-11-17(14)20(25)22-19-13-12-18(23-24-19)21-15(2)16-9-4-3-5-10-16/h3-13,15H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyHHLKGMQMNQFCIZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.21
Rot. Bonds5

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

2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide (PubChem CID 113041168) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
PubChem CID113041168
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(C)c2ccccc2)nn1
InChIInChI=1S/C20H20N4O/c1-14-8-6-7-11-17(14)20(25)22-19-13-12-18(23-24-19)21-15(2)16-9-4-3-5-10-16/h3-13,15H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyHHLKGMQMNQFCIZ-UHFFFAOYSA-N
XLogP4.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041166
2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044513
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113041198
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041180
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
CID 113041159
2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023560
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide (CID 113041168) is 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide is Cc1ccccc1C(=O)Nc1ccc(NC(C)c2ccccc2)nn1.
What is the InChIKey of 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
The InChIKey is HHLKGMQMNQFCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-8-6-7-11-17(14)20(25)22-19-13-12-18(23-24-19)21-15(2)16-9-4-3-5-10-16/h3-13,15H,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide?
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 4.21, 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]benzamide is sourced from PubChem (CID 113041168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).