1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide

C16H18N4O3 — CID 9465629

IUPAC1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C16H18N4O3/c1-3-10-17-15(22)11-6-4-5-7-12(11)18-16(23)13-8-9-14(21)20(2)19-13/h4-9H,3,10H2,1-2H3,(H,17,22)(H,18,23)
InChIKeySDQUTPCUXMZQJY-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.17
Rot. Bonds5

About 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide (PubChem CID 9465629) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
PubChem CID9465629
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C16H18N4O3/c1-3-10-17-15(22)11-6-4-5-7-12(11)18-16(23)13-8-9-14(21)20(2)19-13/h4-9H,3,10H2,1-2H3,(H,17,22)(H,18,23)
InChIKeySDQUTPCUXMZQJY-UHFFFAOYSA-N
XLogP1.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopentylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 8933933
6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 34757785
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 51145335
1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide
CID 51316560
2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660374
N-[2-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 34751154
2-hydrazinyl-N-propylbenzamide
CID 62238054
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide (CID 9465629) is 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide is CCCNC(=O)c1ccccc1NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is SDQUTPCUXMZQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-3-10-17-15(22)11-6-4-5-7-12(11)18-16(23)13-8-9-14(21)20(2)19-13/h4-9H,3,10H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 9465629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).