3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide

C26H25N5O3 — CID 42835292

IUPAC3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCCOc1cnn(Cc2ccccc2)c(=O)c1Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C26H25N5O3/c1-2-34-23-17-29-31(18-19-9-4-3-5-10-19)26(33)24(23)30-21-13-8-11-20(15-21)25(32)28-16-22-12-6-7-14-27-22/h3-15,17,30H,2,16,18H2,1H3,(H,28,32)
InChIKeyXOPPIGYSZPWZOQ-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.76
Rot. Bonds9

About 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide

3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 42835292) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID42835292
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCCOc1cnn(Cc2ccccc2)c(=O)c1Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C26H25N5O3/c1-2-34-23-17-29-31(18-19-9-4-3-5-10-19)26(33)24(23)30-21-13-8-11-20(15-21)25(32)28-16-22-12-6-7-14-27-22/h3-15,17,30H,2,16,18H2,1H3,(H,28,32)
InChIKeyXOPPIGYSZPWZOQ-UHFFFAOYSA-N
XLogP3.76
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide
CID 46002805
3-[[2-(2-chlorophenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 42835543
3-[[5-(4-chloro-3-methylphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 46006259
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-[[5-(4-chlorophenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 42830823
3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 50762078
4-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 46002819
2-benzyl-5-phenoxy-4-[3-(piperidine-1-carbonyl)anilino]pyridazin-3-one
CID 46149320
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
CID 35511449
4-[[2-(3-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 42834297
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide (CID 42835292) is 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide is CCOc1cnn(Cc2ccccc2)c(=O)c1Nc1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is XOPPIGYSZPWZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-2-34-23-17-29-31(18-19-9-4-3-5-10-19)26(33)24(23)30-21-13-8-11-20(15-21)25(32)28-16-22-12-6-7-14-27-22/h3-15,17,30H,2,16,18H2,1H3,(H,28,32).
What are the key properties of 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide?
3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 455.52 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 42835292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).