2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide

C14H17N5O — CID 106550306

IUPAC2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
SMILESCc1cnnc(N(CC(N)=O)Cc2cccc(N)c2)c1
InChIInChI=1S/C14H17N5O/c1-10-5-14(18-17-7-10)19(9-13(16)20)8-11-3-2-4-12(15)6-11/h2-7H,8-9,15H2,1H3,(H2,16,20)
InChIKeyNJKZQYHFKDSEAX-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.86
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide

2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide (PubChem CID 106550306) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
PubChem CID106550306
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
SMILESCc1cnnc(N(CC(N)=O)Cc2cccc(N)c2)c1
InChIInChI=1S/C14H17N5O/c1-10-5-14(18-17-7-10)19(9-13(16)20)8-11-3-2-4-12(15)6-11/h2-7H,8-9,15H2,1H3,(H2,16,20)
InChIKeyNJKZQYHFKDSEAX-UHFFFAOYSA-N
XLogP0.86
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.86
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

2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide
CID 114476656
2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
2-[(3-aminophenyl)methyl-(6-methoxy-2-pyridinyl)amino]acetamide
CID 63589902
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
CID 60875903
2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713137
2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149855
2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
CID 62734371
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine
CID 106550604
N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine
CID 106550689
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide (CID 106550306) is 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide is Cc1cnnc(N(CC(N)=O)Cc2cccc(N)c2)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide?
The InChIKey is NJKZQYHFKDSEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-5-14(18-17-7-10)19(9-13(16)20)8-11-3-2-4-12(15)6-11/h2-7H,8-9,15H2,1H3,(H2,16,20).
What are the key properties of 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide?
2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide has a molecular weight of 271.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide is sourced from PubChem (CID 106550306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).