2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide

C11H14BrN3O2 — CID 163238149

IUPAC2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide
SMILESCC(C(N)=O)c1nnc(OCC2CC2)cc1Br
InChIInChI=1S/C11H14BrN3O2/c1-6(11(13)16)10-8(12)4-9(14-15-10)17-5-7-2-3-7/h4,6-7H,2-3,5H2,1H3,(H2,13,16)
InChIKeyOSQNCJCMGKUEIV-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.62
Rot. Bonds5

About 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide

2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide (PubChem CID 163238149) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide.

Molecular Properties

Compound Name2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide
PubChem CID163238149
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide
SMILESCC(C(N)=O)c1nnc(OCC2CC2)cc1Br
InChIInChI=1S/C11H14BrN3O2/c1-6(11(13)16)10-8(12)4-9(14-15-10)17-5-7-2-3-7/h4,6-7H,2-3,5H2,1H3,(H2,13,16)
InChIKeyOSQNCJCMGKUEIV-UHFFFAOYSA-N
XLogP1.62
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(cyclopropylmethoxy)-3-fluoro-2-pyridinyl]propanamide
CID 175704491
2-[3-bromo-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117498299
(2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide
CID 163238012
2,4-bis[3-bromo-4-(cyclopropylmethoxy)phenyl]pentan-3-one
CID 150261941
3-bromo-6-(cyclopropylmethoxy)pyridazine
CID 169494579
3-bromo-4-(cyclopropylmethoxy)benzamide
CID 138985778
methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 67057251
5-bromo-6-(cyclopropylmethoxy)pyridine-3-carboxylic acid
CID 21109708
2-(cyclopropylmethoxy)-5-propan-2-ylpyrazine
CID 58448486
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793
2-[3-bromo-4-(cyclohexylmethoxy)phenyl]propanoate
CID 22558638
2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide
CID 123971428

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide?
The IUPAC name of 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide (CID 163238149) is 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide.
What is the SMILES notation for 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide?
The canonical SMILES for 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide is CC(C(N)=O)c1nnc(OCC2CC2)cc1Br.
What is the InChIKey of 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide?
The InChIKey is OSQNCJCMGKUEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-6(11(13)16)10-8(12)4-9(14-15-10)17-5-7-2-3-7/h4,6-7H,2-3,5H2,1H3,(H2,13,16).
What are the key properties of 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide?
2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide has a molecular weight of 300.16 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide is sourced from PubChem (CID 163238149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).