3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide

C13H13ClN4O2 — CID 103218655

IUPAC3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide
SMILESCNc1cnn(Cc2ccc(C(N)=O)cc2Cl)c(=O)c1
InChIInChI=1S/C13H13ClN4O2/c1-16-10-5-12(19)18(17-6-10)7-9-3-2-8(13(15)20)4-11(9)14/h2-6,16H,7H2,1H3,(H2,15,20)
InChIKeyDFKPPZYJQAZTCN-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.09
Rot. Bonds4

About 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide

3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide (PubChem CID 103218655) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide
PubChem CID103218655
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide
SMILESCNc1cnn(Cc2ccc(C(N)=O)cc2Cl)c(=O)c1
InChIInChI=1S/C13H13ClN4O2/c1-16-10-5-12(19)18(17-6-10)7-9-3-2-8(13(15)20)4-11(9)14/h2-6,16H,7H2,1H3,(H2,15,20)
InChIKeyDFKPPZYJQAZTCN-UHFFFAOYSA-N
XLogP1.09
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 106548726
4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218894
3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 114393488
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
2-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103218527
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
2-[(4-bromo-2-chlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220213
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide (CID 103218655) is 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide is CNc1cnn(Cc2ccc(C(N)=O)cc2Cl)c(=O)c1.
What is the InChIKey of 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The InChIKey is DFKPPZYJQAZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-16-10-5-12(19)18(17-6-10)7-9-3-2-8(13(15)20)4-11(9)14/h2-6,16H,7H2,1H3,(H2,15,20).
What are the key properties of 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide has a molecular weight of 292.73 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide is sourced from PubChem (CID 103218655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).