2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C26H22FN3O2 — CID 108790851

IUPAC2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCc2ccccc2F)c1=O
InChIInChI=1S/C26H22FN3O2/c1-2-30-26(32)23(25(31)28-17-20-15-9-10-16-21(20)27)22(18-11-5-3-6-12-18)24(29-30)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,28,31)
InChIKeyXUPGOOYKCJZLMW-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.67
Rot. Bonds6

About 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide

2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108790851) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108790851
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCc2ccccc2F)c1=O
InChIInChI=1S/C26H22FN3O2/c1-2-30-26(32)23(25(31)28-17-20-15-9-10-16-21(20)27)22(18-11-5-3-6-12-18)24(29-30)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,28,31)
InChIKeyXUPGOOYKCJZLMW-UHFFFAOYSA-N
XLogP4.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803435
2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide
CID 108790708
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803445
2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108739068
5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one
CID 69154568
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790852
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773
2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803455

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108790851) is 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide is CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCc2ccccc2F)c1=O.
What is the InChIKey of 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is XUPGOOYKCJZLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-2-30-26(32)23(25(31)28-17-20-15-9-10-16-21(20)27)22(18-11-5-3-6-12-18)24(29-30)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,28,31).
What are the key properties of 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108790851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).