N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide

C18H22N4O3 — CID 134019234

IUPACN-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cccc(NC(C)=O)c2C)ccc1=O
InChIInChI=1S/C18H22N4O3/c1-4-5-11-22-17(24)10-9-16(21-22)18(25)20-15-8-6-7-14(12(15)2)19-13(3)23/h6-10H,4-5,11H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyRKPIXEPVYZDIPV-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.56
Rot. Bonds6

About N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide

N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide (PubChem CID 134019234) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
PubChem CID134019234
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cccc(NC(C)=O)c2C)ccc1=O
InChIInChI=1S/C18H22N4O3/c1-4-5-11-22-17(24)10-9-16(21-22)18(25)20-15-8-6-7-14(12(15)2)19-13(3)23/h6-10H,4-5,11H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyRKPIXEPVYZDIPV-UHFFFAOYSA-N
XLogP2.56
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 47025477
1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161972
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510
1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide
CID 35275786
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 32559088
1-butyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 39753441
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide
CID 55342870

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide (CID 134019234) is N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2cccc(NC(C)=O)c2C)ccc1=O.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
The InChIKey is RKPIXEPVYZDIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-5-11-22-17(24)10-9-16(21-22)18(25)20-15-8-6-7-14(12(15)2)19-13(3)23/h6-10H,4-5,11H2,1-3H3,(H,19,23)(H,20,25).
What are the key properties of N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 134019234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).