N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

C13H14N4O4 — CID 16790154

IUPACN-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESCOc1cc(N)ccc1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N4O4/c1-21-10-6-8(14)2-3-9(10)15-12(19)7-17-13(20)5-4-11(18)16-17/h2-6H,7,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyBMBXTHQLRCQFTE-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.23
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 16790154) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID16790154
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESCOc1cc(N)ccc1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N4O4/c1-21-10-6-8(14)2-3-9(10)15-12(19)7-17-13(20)5-4-11(18)16-17/h2-6H,7,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyBMBXTHQLRCQFTE-UHFFFAOYSA-N
XLogP-0.23
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81098626
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
N-(4-amino-2-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 16793869
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63166002
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 16779548
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406482
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 16790154) is N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is COc1cc(N)ccc1NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is BMBXTHQLRCQFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-21-10-6-8(14)2-3-9(10)15-12(19)7-17-13(20)5-4-11(18)16-17/h2-6H,7,14H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 290.28 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 16790154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).