N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide

C25H22ClN5O3 — CID 71103502

IUPACN-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C25H22ClN5O3/c1-17(32)27-14-15-29-23-16-30-31(20-9-7-19(26)8-10-20)25(33)24(23)34-21-11-5-18(6-12-21)22-4-2-3-13-28-22/h2-13,16,29H,14-15H2,1H3,(H,27,32)
InChIKeyYKVFDDHEASGORF-UHFFFAOYSA-N
MW475.94 g/mol
LogP4.29
Rot. Bonds8

About N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide

N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide (PubChem CID 71103502) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide
PubChem CID71103502
Molecular FormulaC25H22ClN5O3
Molecular Weight475.94 g/mol
Exact Mass475.14
IUPAC NameN-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C25H22ClN5O3/c1-17(32)27-14-15-29-23-16-30-31(20-9-7-19(26)8-10-20)25(33)24(23)34-21-11-5-18(6-12-21)22-4-2-3-13-28-22/h2-13,16,29H,14-15H2,1H3,(H,27,32)
InChIKeyYKVFDDHEASGORF-UHFFFAOYSA-N
XLogP4.29
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(2R)-1-aminopropan-2-yl]amino]-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 71103500
methyl 4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoate
CID 47020590
N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide
CID 71103285
4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoic acid
CID 45319538
4-[1-(4-chlorophenyl)-6-oxo-5-(4-phenylphenoxy)pyridazin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 58585259
5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one
CID 71103286
2-(4-chlorophenyl)-4-(4-phenylphenoxy)-5-(4H-pyridin-1-yl)pyridazin-3-one
CID 143481445
2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one;hydrochloride
CID 10075021
2-(4-chlorophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one;molecular hydrogen;chloride
CID 159868999
2-(4-chlorophenyl)-5-(4-oxopiperidin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585409
5-azido-2-(4-chlorophenyl)-4-(4-phenylphenoxy)pyridazin-3-one
CID 58585370
5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 46172932

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide (CID 71103502) is N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide?
The InChIKey is YKVFDDHEASGORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c1-17(32)27-14-15-29-23-16-30-31(20-9-7-19(26)8-10-20)25(33)24(23)34-21-11-5-18(6-12-21)22-4-2-3-13-28-22/h2-13,16,29H,14-15H2,1H3,(H,27,32).
What are the key properties of N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide?
N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide has a molecular weight of 475.94 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-chlorophenyl)-6-oxo-5-(4-pyridin-2-ylphenoxy)pyridazin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 71103502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).