4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid

C26H21N3O5 — CID 108803452

IUPAC4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(C(=O)O)c(O)c2)c1=O
InChIInChI=1S/C26H21N3O5/c1-2-29-25(32)22(24(31)27-18-13-14-19(26(33)34)20(30)15-18)21(16-9-5-3-6-10-16)23(28-29)17-11-7-4-8-12-17/h3-15,30H,2H2,1H3,(H,27,31)(H,33,34)
InChIKeyQTPIBIOOQQBJDL-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.25
Rot. Bonds6

About 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid

4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 108803452) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID108803452
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Name4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(C(=O)O)c(O)c2)c1=O
InChIInChI=1S/C26H21N3O5/c1-2-29-25(32)22(24(31)27-18-13-14-19(26(33)34)20(30)15-18)21(16-9-5-3-6-10-16)23(28-29)17-11-7-4-8-12-17/h3-15,30H,2H2,1H3,(H,27,31)(H,33,34)
InChIKeyQTPIBIOOQQBJDL-UHFFFAOYSA-N
XLogP4.25
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803513
2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 21001865
N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790832
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
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
2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803445
2-ethyl-3-oxo-5,6-diphenyl-N-quinolin-8-ylpyridazine-4-carboxamide
CID 108790850
2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid (CID 108803452) is 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid is CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(C(=O)O)c(O)c2)c1=O.
What is the InChIKey of 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is QTPIBIOOQQBJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-2-29-25(32)22(24(31)27-18-13-14-19(26(33)34)20(30)15-18)21(16-9-5-3-6-10-16)23(28-29)17-11-7-4-8-12-17/h3-15,30H,2H2,1H3,(H,27,31)(H,33,34).
What are the key properties of 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid?
4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 455.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 108803452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).