N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide

C15H18N4O2 — CID 62921618

IUPACN-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n(CCC(=O)Nc2ccc(N)cc2C)n1
InChIInChI=1S/C15H18N4O2/c1-10-9-12(16)4-5-13(10)17-14(20)7-8-19-15(21)6-3-11(2)18-19/h3-6,9H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyXANJFIFCNURKRM-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.47
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide

N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 62921618) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
PubChem CID62921618
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n(CCC(=O)Nc2ccc(N)cc2C)n1
InChIInChI=1S/C15H18N4O2/c1-10-9-12(16)4-5-13(10)17-14(20)7-8-19-15(21)6-3-11(2)18-19/h3-6,9H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyXANJFIFCNURKRM-UHFFFAOYSA-N
XLogP1.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-amino-2-methylphenyl)propanamide
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N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62491301
N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 71991611
N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930
N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16783001
N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide
CID 63103700
N-(3,4-dimethylphenyl)-1-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-6-oxopyridazine-3-carboxamide
CID 53066184
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
1-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065987
N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 43825670

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide (CID 62921618) is N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide is Cc1ccc(=O)n(CCC(=O)Nc2ccc(N)cc2C)n1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is XANJFIFCNURKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-9-12(16)4-5-13(10)17-14(20)7-8-19-15(21)6-3-11(2)18-19/h3-6,9H,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 286.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 62921618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).