N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C27H25N3O4 — CID 108790773

IUPACN-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2cc(OC)ccc2OC)c1=O
InChIInChI=1S/C27H25N3O4/c1-4-30-27(32)24(26(31)28-21-17-20(33-2)15-16-22(21)34-3)23(18-11-7-5-8-12-18)25(29-30)19-13-9-6-10-14-19/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyIBNUPLBMSAEGNN-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.87
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108790773) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108790773
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2cc(OC)ccc2OC)c1=O
InChIInChI=1S/C27H25N3O4/c1-4-30-27(32)24(26(31)28-21-17-20(33-2)15-16-22(21)34-3)23(18-11-7-5-8-12-18)25(29-30)19-13-9-6-10-14-19/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyIBNUPLBMSAEGNN-UHFFFAOYSA-N
XLogP4.87
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one
CID 10069141
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803435
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
N-(2,3-dichlorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790725
2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743
4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108803452
2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803455
2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 21001865
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
2-ethyl-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108733162
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
CID 7731852

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108790773) is N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2cc(OC)ccc2OC)c1=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is IBNUPLBMSAEGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-4-30-27(32)24(26(31)28-21-17-20(33-2)15-16-22(21)34-3)23(18-11-7-5-8-12-18)25(29-30)19-13-9-6-10-14-19/h5-17H,4H2,1-3H3,(H,28,31).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108790773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).