2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide

C24H20N4O3 — CID 121100942

IUPAC2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(Oc2ccccc2)cc1)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C24H20N4O3/c1-17(28-23(29)14-13-22(27-28)18-6-5-15-25-16-18)24(30)26-19-9-11-21(12-10-19)31-20-7-3-2-4-8-20/h2-17H,1H3,(H,26,30)
InChIKeyITUBACJMIWTVQP-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.30
Rot. Bonds6

About 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 121100942) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
PubChem CID121100942
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(Oc2ccccc2)cc1)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C24H20N4O3/c1-17(28-23(29)14-13-22(27-28)18-6-5-15-25-16-18)24(30)26-19-9-11-21(12-10-19)31-20-7-3-2-4-8-20/h2-17H,1H3,(H,26,30)
InChIKeyITUBACJMIWTVQP-UHFFFAOYSA-N
XLogP4.30
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121100940
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100989
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 121100867
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 90517991
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101075
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
CID 121101040
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100920
N-[(4-methylphenyl)methyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100875
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-oxothiolan-3-yl)propanamide
CID 121101028
N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101290
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide (CID 121100942) is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide is CC(C(=O)Nc1ccc(Oc2ccccc2)cc1)n1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is ITUBACJMIWTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-17(28-23(29)14-13-22(27-28)18-6-5-15-25-16-18)24(30)26-19-9-11-21(12-10-19)31-20-7-3-2-4-8-20/h2-17H,1H3,(H,26,30).
What are the key properties of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide?
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 412.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 121100942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).