4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one

C18H21BrN4O2 — CID 133303079

IUPAC4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCc2ccc(C(=O)N3CCCCC3)cc2)c(Br)c1=O
InChIInChI=1S/C18H21BrN4O2/c1-22-18(25)16(19)15(12-21-22)20-11-13-5-7-14(8-6-13)17(24)23-9-3-2-4-10-23/h5-8,12,20H,2-4,9-11H2,1H3
InChIKeyUARUQOSEDOVYKU-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.78
Rot. Bonds4

About 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one

4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one (PubChem CID 133303079) has the molecular formula C18H21BrN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one
PubChem CID133303079
Molecular FormulaC18H21BrN4O2
Molecular Weight405.30 g/mol
Exact Mass404.08
IUPAC Name4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCc2ccc(C(=O)N3CCCCC3)cc2)c(Br)c1=O
InChIInChI=1S/C18H21BrN4O2/c1-22-18(25)16(19)15(12-21-22)20-11-13-5-7-14(8-6-13)17(24)23-9-3-2-4-10-23/h5-8,12,20H,2-4,9-11H2,1H3
InChIKeyUARUQOSEDOVYKU-UHFFFAOYSA-N
XLogP2.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-methyl-5-[(4-propan-2-yloxyphenyl)methylamino]pyridazin-3-one
CID 133303288
N-[3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133303678
4-bromo-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylpyridazin-3-one
CID 115682958
4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303260
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
CID 103736991
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 137336198
methyl 4-[[2-amino-5-(azepane-1-carbonyl)anilino]methyl]benzoate
CID 20659877
3-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 51087989
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111954428

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one (CID 133303079) is 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one is Cn1ncc(NCc2ccc(C(=O)N3CCCCC3)cc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one?
The InChIKey is UARUQOSEDOVYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2/c1-22-18(25)16(19)15(12-21-22)20-11-13-5-7-14(8-6-13)17(24)23-9-3-2-4-10-23/h5-8,12,20H,2-4,9-11H2,1H3.
What are the key properties of 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one has a molecular weight of 405.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one is sourced from PubChem (CID 133303079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).