1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide

C16H18ClN3O3 — CID 18161080

IUPAC1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOCC(C)NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O
InChIInChI=1S/C16H18ClN3O3/c1-10(9-23-3)18-16(22)15-14(21)8-11(2)20(19-15)13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,18,22)
InChIKeyVJMRIBWLNOOBKV-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.96
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide

1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 18161080) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID18161080
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOCC(C)NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O
InChIInChI=1S/C16H18ClN3O3/c1-10(9-23-3)18-16(22)15-14(21)8-11(2)20(19-15)13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,18,22)
InChIKeyVJMRIBWLNOOBKV-UHFFFAOYSA-N
XLogP1.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 18161080) is 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide is COCC(C)NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is VJMRIBWLNOOBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-10(9-23-3)18-16(22)15-14(21)8-11(2)20(19-15)13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,18,22).
What are the key properties of 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18161080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).