N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide

C23H24N4O2 — CID 113049064

IUPACN-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)nn2)c1
InChIInChI=1S/C23H24N4O2/c1-15(28)17-6-5-7-19(14-17)24-20-12-13-21(27-26-20)25-22(29)16-8-10-18(11-9-16)23(2,3)4/h5-14H,1-4H3,(H,24,26)(H,25,27,29)
InChIKeyQTUVVXOCECNDET-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.97
Rot. Bonds5

About N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide

N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide (PubChem CID 113049064) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
PubChem CID113049064
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)nn2)c1
InChIInChI=1S/C23H24N4O2/c1-15(28)17-6-5-7-19(14-17)24-20-12-13-21(27-26-20)25-22(29)16-8-10-18(11-9-16)23(2,3)4/h5-14H,1-4H3,(H,24,26)(H,25,27,29)
InChIKeyQTUVVXOCECNDET-UHFFFAOYSA-N
XLogP4.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-[6-(3-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049047
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
4-tert-butyl-N-[6-(4-cyanoanilino)pyridazin-3-yl]benzamide
CID 113051326
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide?
The IUPAC name of N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide (CID 113049064) is N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide?
The canonical SMILES for N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide is CC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)nn2)c1.
What is the InChIKey of N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide?
The InChIKey is QTUVVXOCECNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(28)17-6-5-7-19(14-17)24-20-12-13-21(27-26-20)25-22(29)16-8-10-18(11-9-16)23(2,3)4/h5-14H,1-4H3,(H,24,26)(H,25,27,29).
What are the key properties of N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide?
N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide is sourced from PubChem (CID 113049064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).