1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

C19H15BrClN3O4 — CID 108791549

IUPAC1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O
InChIInChI=1S/C19H15BrClN3O4/c1-10-7-14(16(28-2)8-13(10)21)22-19(27)18-15(25)9-17(26)24(23-18)12-5-3-11(20)4-6-12/h3-9,25H,1-2H3,(H,22,27)
InChIKeyQIYULNPRJNYRCH-UHFFFAOYSA-N
MW464.70 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (PubChem CID 108791549) has the molecular formula C19H15BrClN3O4 and a molecular weight of 464.70 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
PubChem CID108791549
Molecular FormulaC19H15BrClN3O4
Molecular Weight464.70 g/mol
Exact Mass462.99
IUPAC Name1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O
InChIInChI=1S/C19H15BrClN3O4/c1-10-7-14(16(28-2)8-13(10)21)22-19(27)18-15(25)9-17(26)24(23-18)12-5-3-11(20)4-6-12/h3-9,25H,1-2H3,(H,22,27)
InChIKeyQIYULNPRJNYRCH-UHFFFAOYSA-N
XLogP3.92
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-N-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803882
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798420
1-(4-bromophenyl)-N-[4-(diethylamino)-2-methylphenyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791542
1-(4-bromophenyl)-4-hydroxy-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 108803884
N-(5-chloro-2-hydroxyphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8556036
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 15993101
N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803973
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9270943
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791406
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (CID 108791549) is 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O.
What is the InChIKey of 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The InChIKey is QIYULNPRJNYRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O4/c1-10-7-14(16(28-2)8-13(10)21)22-19(27)18-15(25)9-17(26)24(23-18)12-5-3-11(20)4-6-12/h3-9,25H,1-2H3,(H,22,27).
What are the key properties of 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide has a molecular weight of 464.70 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108791549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).