N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide

C24H28N4O4 — CID 46001003

IUPACN-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(Nc2c(Oc3ccc(C)cc3OC)cnn(C)c2=O)c1
InChIInChI=1S/C24H28N4O4/c1-6-16(3)26-23(29)17-8-7-9-18(13-17)27-22-21(14-25-28(4)24(22)30)32-19-11-10-15(2)12-20(19)31-5/h7-14,16,27H,6H2,1-5H3,(H,26,29)
InChIKeyUBIDLLOWRMDANZ-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.16
Rot. Bonds8

About N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide

N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide (PubChem CID 46001003) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide
PubChem CID46001003
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(Nc2c(Oc3ccc(C)cc3OC)cnn(C)c2=O)c1
InChIInChI=1S/C24H28N4O4/c1-6-16(3)26-23(29)17-8-7-9-18(13-17)27-22-21(14-25-28(4)24(22)30)32-19-11-10-15(2)12-20(19)31-5/h7-14,16,27H,6H2,1-5H3,(H,26,29)
InChIKeyUBIDLLOWRMDANZ-UHFFFAOYSA-N
XLogP4.16
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide with MolForge

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Related Compounds

N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
CID 42833653
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 93070931
N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17198816
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 83283817
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109165857
3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide
CID 46002805
methyl 3-[[5-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109152090
3-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-methoxybenzamide
CID 17199186

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide (CID 46001003) is N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide is CCC(C)NC(=O)c1cccc(Nc2c(Oc3ccc(C)cc3OC)cnn(C)c2=O)c1.
What is the InChIKey of N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide?
The InChIKey is UBIDLLOWRMDANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-6-16(3)26-23(29)17-8-7-9-18(13-17)27-22-21(14-25-28(4)24(22)30)32-19-11-10-15(2)12-20(19)31-5/h7-14,16,27H,6H2,1-5H3,(H,26,29).
What are the key properties of N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide?
N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide has a molecular weight of 436.51 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide is sourced from PubChem (CID 46001003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).