N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

C17H19BrN4O2 — CID 71795332

IUPACN-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESCn1nc(N2CCC(C(=O)Nc3ccccc3Br)CC2)ccc1=O
InChIInChI=1S/C17H19BrN4O2/c1-21-16(23)7-6-15(20-21)22-10-8-12(9-11-22)17(24)19-14-5-3-2-4-13(14)18/h2-7,12H,8-11H2,1H3,(H,19,24)
InChIKeyONDNSADZNKSXKC-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.40
Rot. Bonds3

About N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 71795332) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
PubChem CID71795332
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC NameN-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESCn1nc(N2CCC(C(=O)Nc3ccccc3Br)CC2)ccc1=O
InChIInChI=1S/C17H19BrN4O2/c1-21-16(23)7-6-15(20-21)22-10-8-12(9-11-22)17(24)19-14-5-3-2-4-13(14)18/h2-7,12H,8-11H2,1H3,(H,19,24)
InChIKeyONDNSADZNKSXKC-UHFFFAOYSA-N
XLogP2.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 71795304
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 71795253
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(2-bromophenyl)-1-pent-3-ynylpiperidine-4-carboxamide
CID 154752837
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53070632
2-methyl-6-pyrrolidin-1-ylpyridazin-3-one
CID 130616620
N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane
CID 123664942
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133903

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (CID 71795332) is N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is Cn1nc(N2CCC(C(=O)Nc3ccccc3Br)CC2)ccc1=O.
What is the InChIKey of N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is ONDNSADZNKSXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-21-16(23)7-6-15(20-21)22-10-8-12(9-11-22)17(24)19-14-5-3-2-4-13(14)18/h2-7,12H,8-11H2,1H3,(H,19,24).
What are the key properties of N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71795332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).