3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide

C14H17N5O2 — CID 114393488

IUPAC3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
SMILESCN(C)c1cnn(Cc2ccc(C(N)=O)cc2N)c(=O)c1
InChIInChI=1S/C14H17N5O2/c1-18(2)11-6-13(20)19(17-7-11)8-10-4-3-9(14(16)21)5-12(10)15/h3-7H,8,15H2,1-2H3,(H2,16,21)
InChIKeyOIIQNSRTYZCBGM-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.04
Rot. Bonds4

About 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide

3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide (PubChem CID 114393488) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
PubChem CID114393488
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
SMILESCN(C)c1cnn(Cc2ccc(C(N)=O)cc2N)c(=O)c1
InChIInChI=1S/C14H17N5O2/c1-18(2)11-6-13(20)19(17-7-11)8-10-4-3-9(14(16)21)5-12(10)15/h3-7H,8,15H2,1-2H3,(H2,16,21)
InChIKeyOIIQNSRTYZCBGM-UHFFFAOYSA-N
XLogP0.04
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide
CID 114398355
2-[(4-amino-2-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393483
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide
CID 72893419
3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218655
2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393496
2-[(2-amino-4-chlorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393646
5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one
CID 29088974
3-amino-4-ethylbenzamide
CID 19977641
2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114396882
3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 79181075
3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 43376136
2-[(3-bromothiophen-2-yl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114396887

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The IUPAC name of 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide (CID 114393488) is 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide is CN(C)c1cnn(Cc2ccc(C(N)=O)cc2N)c(=O)c1.
What is the InChIKey of 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The InChIKey is OIIQNSRTYZCBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18(2)11-6-13(20)19(17-7-11)8-10-4-3-9(14(16)21)5-12(10)15/h3-7H,8,15H2,1-2H3,(H2,16,21).
What are the key properties of 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide is sourced from PubChem (CID 114393488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).