1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide

C16H18N4O3 — CID 26907068

IUPAC1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C16H18N4O3/c1-10(2)15(22)17-11-4-6-12(7-5-11)18-16(23)13-8-9-14(21)20(3)19-13/h4-10H,1-3H3,(H,17,22)(H,18,23)
InChIKeyFCKLEUHSZMXLBI-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.63
Rot. Bonds4

About 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 26907068) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID26907068
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C16H18N4O3/c1-10(2)15(22)17-11-4-6-12(7-5-11)18-16(23)13-8-9-14(21)20(3)19-13/h4-10H,1-3H3,(H,17,22)(H,18,23)
InChIKeyFCKLEUHSZMXLBI-UHFFFAOYSA-N
XLogP1.63
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55647641
1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 121036797
N-[4-(benzimidazol-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17487112
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 94806275
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26901420

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide (CID 26907068) is 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is FCKLEUHSZMXLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(2)15(22)17-11-4-6-12(7-5-11)18-16(23)13-8-9-14(21)20(3)19-13/h4-10H,1-3H3,(H,17,22)(H,18,23).
What are the key properties of 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26907068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).