N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

C14H14BrN3O2 — CID 47210931

IUPACN-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H14BrN3O2/c1-9(8-10-2-4-11(15)5-3-10)16-14(20)12-6-7-13(19)18-17-12/h2-7,9H,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyKHZXWLJDBAETSD-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.89
Rot. Bonds4

About N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 47210931) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID47210931
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H14BrN3O2/c1-9(8-10-2-4-11(15)5-3-10)16-14(20)12-6-7-13(19)18-17-12/h2-7,9H,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyKHZXWLJDBAETSD-UHFFFAOYSA-N
XLogP1.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103942956
N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55717161
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
N-[1-(4-bromophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112842470
N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841
N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 115735908
N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
CID 55716947
N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 82281497
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 56793656
6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide
CID 37203450

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 47210931) is N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is CC(Cc1ccc(Br)cc1)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KHZXWLJDBAETSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-9(8-10-2-4-11(15)5-3-10)16-14(20)12-6-7-13(19)18-17-12/h2-7,9H,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47210931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).