N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide

C16H19N3O3 — CID 8552987

IUPACN-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)cc1OC
InChIInChI=1S/C16H19N3O3/c1-4-11(2)17-16(21)15-13(22-3)10-14(20)19(18-15)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,21)/t11-/m1/s1
InChIKeyZNAYAOQCLJIIOC-LLVKDONJSA-N
MW301.35 g/mol
LogP1.77
Rot. Bonds5

About N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide

N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 8552987) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID8552987
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)cc1OC
InChIInChI=1S/C16H19N3O3/c1-4-11(2)17-16(21)15-13(22-3)10-14(20)19(18-15)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,21)/t11-/m1/s1
InChIKeyZNAYAOQCLJIIOC-LLVKDONJSA-N
XLogP1.77
TPSA73.22 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 26842143
4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640
4-methoxy-N,N-bis(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8554268
N-[(4-chlorophenyl)methyl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553924
N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 95099138
1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 8557178
N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557124
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52843256
N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46522145

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide (CID 8552987) is N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide is CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)cc1OC.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is ZNAYAOQCLJIIOC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-11(2)17-16(21)15-13(22-3)10-14(20)19(18-15)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 8552987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).