N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide

C20H20N4O — CID 113040992

IUPACN-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
SMILESCc1cccc(CNc2ccc(NC(=O)Cc3ccccc3)nn2)c1
InChIInChI=1S/C20H20N4O/c1-15-6-5-9-17(12-15)14-21-18-10-11-19(24-23-18)22-20(25)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyRFPWKRTULCVMLM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.58
Rot. Bonds6

About N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide

N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide (PubChem CID 113040992) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
PubChem CID113040992
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
SMILESCc1cccc(CNc2ccc(NC(=O)Cc3ccccc3)nn2)c1
InChIInChI=1S/C20H20N4O/c1-15-6-5-9-17(12-15)14-21-18-10-11-19(24-23-18)22-20(25)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyRFPWKRTULCVMLM-UHFFFAOYSA-N
XLogP3.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113040689
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
2-phenyl-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037818
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118261
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
N-(2-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118339

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide (CID 113040992) is N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide is Cc1cccc(CNc2ccc(NC(=O)Cc3ccccc3)nn2)c1.
What is the InChIKey of N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide?
The InChIKey is RFPWKRTULCVMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-6-5-9-17(12-15)14-21-18-10-11-19(24-23-18)22-20(25)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide?
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide has a molecular weight of 332.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 113040992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).