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

C29H29N3O3 — CID 108790832

IUPACN-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCCCOc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(CC)c2=O)cc1
InChIInChI=1S/C29H29N3O3/c1-3-5-20-35-24-18-16-23(17-19-24)30-28(33)26-25(21-12-8-6-9-13-21)27(22-14-10-7-11-15-22)31-32(4-2)29(26)34/h6-19H,3-5,20H2,1-2H3,(H,30,33)
InChIKeySEHDVBHXXZWKJP-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.03
Rot. Bonds9

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

N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108790832) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108790832
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC NameN-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCCCOc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(CC)c2=O)cc1
InChIInChI=1S/C29H29N3O3/c1-3-5-20-35-24-18-16-23(17-19-24)30-28(33)26-25(21-12-8-6-9-13-21)27(22-14-10-7-11-15-22)31-32(4-2)29(26)34/h6-19H,3-5,20H2,1-2H3,(H,30,33)
InChIKeySEHDVBHXXZWKJP-UHFFFAOYSA-N
XLogP6.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803513
4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108803452
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773
2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743
2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803445
2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 21001865
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-3-oxo-5,6-diphenyl-N-quinolin-8-ylpyridazine-4-carboxamide
CID 108790850
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803435
N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
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 N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108790832) is N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is CCCCOc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(CC)c2=O)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is SEHDVBHXXZWKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-3-5-20-35-24-18-16-23(17-19-24)30-28(33)26-25(21-12-8-6-9-13-21)27(22-14-10-7-11-15-22)31-32(4-2)29(26)34/h6-19H,3-5,20H2,1-2H3,(H,30,33).
What are the key properties of N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108790832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).