1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide

C16H19N3O2 — CID 42161849

IUPAC1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12(2)10-17-16(21)14-8-9-15(20)19(18-14)11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,21)
InChIKeyPHOFAURRVOKPOZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.68
Rot. Bonds5

About 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide (PubChem CID 42161849) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
PubChem CID42161849
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12(2)10-17-16(21)14-8-9-15(20)19(18-14)11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,21)
InChIKeyPHOFAURRVOKPOZ-UHFFFAOYSA-N
XLogP1.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 134058913
1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
CID 111426248
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 111695210
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 112764484
1-benzyl-N-(1,1-difluoropropan-2-yl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 166303082
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide (CID 42161849) is 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide is CC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is PHOFAURRVOKPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(2)10-17-16(21)14-8-9-15(20)19(18-14)11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,21).
What are the key properties of 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).