N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

C16H16BrN3O2 — CID 122278854

IUPACN-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H16BrN3O2/c1-10(16(22)18-13-6-4-12(17)5-7-13)20-15(21)9-8-14(19-20)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,22)
InChIKeyQJBGCCUDQXIDHS-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.08
Rot. Bonds4

About N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 122278854) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
PubChem CID122278854
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC NameN-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H16BrN3O2/c1-10(16(22)18-13-6-4-12(17)5-7-13)20-15(21)9-8-14(19-20)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,22)
InChIKeyQJBGCCUDQXIDHS-UHFFFAOYSA-N
XLogP3.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279108
N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122278968
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 122278784
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide
CID 122279178
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 122278953
N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279060
N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279989
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 122246447
N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122162435
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 122278884
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridazin-3-one
CID 122278751

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (CID 122278854) is N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is CC(C(=O)Nc1ccc(Br)cc1)n1nc(C2CC2)ccc1=O.
What is the InChIKey of N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is QJBGCCUDQXIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-10(16(22)18-13-6-4-12(17)5-7-13)20-15(21)9-8-14(19-20)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,22).
What are the key properties of N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 362.23 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 122278854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).