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

C17H21N3O4 — CID 95099138

IUPACN-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(OC)cc1=O
InChIInChI=1S/C17H21N3O4/c1-5-11(2)18-17(22)16-14(21)10-15(24-4)20(19-16)12-6-8-13(23-3)9-7-12/h6-11H,5H2,1-4H3,(H,18,22)/t11-/m1/s1
InChIKeyLBKDYFOSBMAOCG-LLVKDONJSA-N
MW331.37 g/mol
LogP1.78
Rot. Bonds6

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

N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 95099138) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID95099138
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(OC)cc1=O
InChIInChI=1S/C17H21N3O4/c1-5-11(2)18-17(22)16-14(21)10-15(24-4)20(19-16)12-6-8-13(23-3)9-7-12/h6-11H,5H2,1-4H3,(H,18,22)/t11-/m1/s1
InChIKeyLBKDYFOSBMAOCG-LLVKDONJSA-N
XLogP1.78
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 93159412
N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372682
6-methoxy-1-(4-methoxyphenyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridazine-3-carboxamide
CID 95099143
N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8552987
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
N-[(2R)-butan-2-yl]-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 7412332
4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
CID 82421317
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
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
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide (CID 95099138) is N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide is CC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(OC)cc1=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is LBKDYFOSBMAOCG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-5-11(2)18-17(22)16-14(21)10-15(24-4)20(19-16)12-6-8-13(23-3)9-7-12/h6-11H,5H2,1-4H3,(H,18,22)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 95099138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).