1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide

C18H23BrN4O3 — CID 108791473

IUPAC1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O
InChIInChI=1S/C18H23BrN4O3/c1-3-22(4-2)11-5-10-20-18(26)17-15(24)12-16(25)23(21-17)14-8-6-13(19)7-9-14/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,20,26)
InChIKeyLDSPNHQTQPVKDJ-UHFFFAOYSA-N
MW423.31 g/mol
LogP2.16
Rot. Bonds8

About 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide

1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide (PubChem CID 108791473) has the molecular formula C18H23BrN4O3 and a molecular weight of 423.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
PubChem CID108791473
Molecular FormulaC18H23BrN4O3
Molecular Weight423.31 g/mol
Exact Mass422.10
IUPAC Name1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O
InChIInChI=1S/C18H23BrN4O3/c1-3-22(4-2)11-5-10-20-18(26)17-15(24)12-16(25)23(21-17)14-8-6-13(19)7-9-14/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,20,26)
InChIKeyLDSPNHQTQPVKDJ-UHFFFAOYSA-N
XLogP2.16
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323
1-(4-bromophenyl)-N-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803882
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 108791405
N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791406
1-(4-bromophenyl)-N-[4-(diethylamino)-2-methylphenyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791542
ethyl 4-[[1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carbonyl]amino]benzoate
CID 108791374
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
CID 108791469
N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803973
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide
CID 108791427
1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420653

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide (CID 108791473) is 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide is CCN(CC)CCCNC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O.
What is the InChIKey of 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide?
The InChIKey is LDSPNHQTQPVKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O3/c1-3-22(4-2)11-5-10-20-18(26)17-15(24)12-16(25)23(21-17)14-8-6-13(19)7-9-14/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,20,26).
What are the key properties of 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide?
1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide has a molecular weight of 423.31 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108791473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).