N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide

C13H12BrN3O — CID 112705396

IUPACN-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
SMILESCC(NC(=O)c1ccnnc1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O/c1-9(10-2-4-12(14)5-3-10)17-13(18)11-6-7-15-16-8-11/h2-9H,1H3,(H,17,18)
InChIKeyDVKUBIYBJRLINM-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.73
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide

N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide (PubChem CID 112705396) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
PubChem CID112705396
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
SMILESCC(NC(=O)c1ccnnc1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O/c1-9(10-2-4-12(14)5-3-10)17-13(18)11-6-7-15-16-8-11/h2-9H,1H3,(H,17,18)
InChIKeyDVKUBIYBJRLINM-UHFFFAOYSA-N
XLogP2.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-(1-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 91510473
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071856
N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603
N-[1-(6-bromo-3-pyridinyl)ethyl]pyridine-4-carboxamide
CID 140582807

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide (CID 112705396) is N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide is CC(NC(=O)c1ccnnc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide?
The InChIKey is DVKUBIYBJRLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-9(10-2-4-12(14)5-3-10)17-13(18)11-6-7-15-16-8-11/h2-9H,1H3,(H,17,18).
What are the key properties of N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide?
N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 112705396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).