1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide

C16H19N3O3 — CID 111695210

IUPAC1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C16H19N3O3/c1-12(20)10-18(2)16(22)14-8-9-15(21)19(17-14)11-13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3
InChIKeyZXTNRZSADZEGNP-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.74
Rot. Bonds5

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

1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 111695210) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID111695210
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C16H19N3O3/c1-12(20)10-18(2)16(22)14-8-9-15(21)19(17-14)11-13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3
InChIKeyZXTNRZSADZEGNP-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 134058913
1-benzyl-N-(1,1-difluoropropan-2-yl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 166303082
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 51143596
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 31795511
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
(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
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
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-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide (CID 111695210) is 1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide is CC(O)CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZXTNRZSADZEGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12(20)10-18(2)16(22)14-8-9-15(21)19(17-14)11-13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111695210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).