N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

C13H14N4O3 — CID 16791038

IUPACN-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESNCc1ccccc1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N4O3/c14-7-9-3-1-2-4-10(9)15-12(19)8-17-13(20)6-5-11(18)16-17/h1-6H,7-8,14H2,(H,15,19)(H,16,18)
InChIKeyPTNOHNDYPXSXJC-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.37
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 16791038) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID16791038
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESNCc1ccccc1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N4O3/c14-7-9-3-1-2-4-10(9)15-12(19)8-17-13(20)6-5-11(18)16-17/h1-6H,7-8,14H2,(H,15,19)(H,16,18)
InChIKeyPTNOHNDYPXSXJC-UHFFFAOYSA-N
XLogP-0.37
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide
CID 3750355
N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 16790154
N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 16790022
N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 43376201
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide
CID 40688091

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 16791038) is N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is NCc1ccccc1NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is PTNOHNDYPXSXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-7-9-3-1-2-4-10(9)15-12(19)8-17-13(20)6-5-11(18)16-17/h1-6H,7-8,14H2,(H,15,19)(H,16,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 16791038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).