1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide

C19H19N5O3 — CID 121066688

IUPAC1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)NCCn3ncccc3=O)ccc2=O)cc1
InChIInChI=1S/C19H19N5O3/c1-14-4-6-15(7-5-14)13-24-18(26)9-8-16(22-24)19(27)20-11-12-23-17(25)3-2-10-21-23/h2-10H,11-13H2,1H3,(H,20,27)
InChIKeyXCVFTSQLBOGCAV-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.59
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide

1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 121066688) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide
PubChem CID121066688
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)NCCn3ncccc3=O)ccc2=O)cc1
InChIInChI=1S/C19H19N5O3/c1-14-4-6-15(7-5-14)13-24-18(26)9-8-16(22-24)19(27)20-11-12-23-17(25)3-2-10-21-23/h2-10H,11-13H2,1H3,(H,20,27)
InChIKeyXCVFTSQLBOGCAV-UHFFFAOYSA-N
XLogP0.59
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 32964770
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
N-(4-methylphenyl)-6-oxo-1-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 41247807
1-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247833
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 32964794
1-benzyl-6-oxo-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 35864486
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 42226635
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide (CID 121066688) is 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide is Cc1ccc(Cn2nc(C(=O)NCCn3ncccc3=O)ccc2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is XCVFTSQLBOGCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-14-4-6-15(7-5-14)13-24-18(26)9-8-16(22-24)19(27)20-11-12-23-17(25)3-2-10-21-23/h2-10H,11-13H2,1H3,(H,20,27).
What are the key properties of 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide?
1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121066688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).