4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide

C15H18N4O2 — CID 72893419

IUPAC4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2ncc(N(C)C)cc2=O)cc1
InChIInChI=1S/C15H18N4O2/c1-16-15(21)12-6-4-11(5-7-12)10-19-14(20)8-13(9-17-19)18(2)3/h4-9H,10H2,1-3H3,(H,16,21)
InChIKeyGJLAFAYXBBQSIC-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.72
Rot. Bonds4

About 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide

4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide (PubChem CID 72893419) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide
PubChem CID72893419
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2ncc(N(C)C)cc2=O)cc1
InChIInChI=1S/C15H18N4O2/c1-16-15(21)12-6-4-11(5-7-12)10-19-14(20)8-13(9-17-19)18(2)3/h4-9H,10H2,1-3H3,(H,16,21)
InChIKeyGJLAFAYXBBQSIC-UHFFFAOYSA-N
XLogP0.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide
CID 114398355
2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114396882
5-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-fluorobenzoic acid
CID 107881028
3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 114393488
2-[(4-bromo-3-nitrophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114395531
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788475
5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 114396959
2-[(4-bromophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396920
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one
CID 29088974
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218894

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide (CID 72893419) is 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(Cn2ncc(N(C)C)cc2=O)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide?
The InChIKey is GJLAFAYXBBQSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-15(21)12-6-4-11(5-7-12)10-19-14(20)8-13(9-17-19)18(2)3/h4-9H,10H2,1-3H3,(H,16,21).
What are the key properties of 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide?
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide has a molecular weight of 286.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 72893419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).