N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide

C17H20BrN3O2 — CID 49003488

IUPACN-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCc2ccccc2Br)ccc1=O
InChIInChI=1S/C17H20BrN3O2/c1-2-3-12-21-16(22)9-8-15(20-21)17(23)19-11-10-13-6-4-5-7-14(13)18/h4-9H,2-3,10-12H2,1H3,(H,19,23)
InChIKeyYLZXGUSAXWIXMR-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.78
Rot. Bonds7

About N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide

N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide (PubChem CID 49003488) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
PubChem CID49003488
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC NameN-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCc2ccccc2Br)ccc1=O
InChIInChI=1S/C17H20BrN3O2/c1-2-3-12-21-16(22)9-8-15(20-21)17(23)19-11-10-13-6-4-5-7-14(13)18/h4-9H,2-3,10-12H2,1H3,(H,19,23)
InChIKeyYLZXGUSAXWIXMR-UHFFFAOYSA-N
XLogP2.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 51233079
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904
1-butyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 103767607
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
CID 103862339
1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 78808234
1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55694654
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide (CID 49003488) is N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCCc2ccccc2Br)ccc1=O.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide?
The InChIKey is YLZXGUSAXWIXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-2-3-12-21-16(22)9-8-15(20-21)17(23)19-11-10-13-6-4-5-7-14(13)18/h4-9H,2-3,10-12H2,1H3,(H,19,23).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide?
N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 49003488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).