3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide

C19H17BrN4O2 — CID 71825211

IUPAC3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccccn1
InChIInChI=1S/C19H17BrN4O2/c20-15-6-4-14(5-7-15)17-8-9-19(26)24(23-17)12-10-18(25)22-13-16-3-1-2-11-21-16/h1-9,11H,10,12-13H2,(H,22,25)
InChIKeyWFBMOVIGUYLQJS-UHFFFAOYSA-N
MW413.28 g/mol
LogP2.77
Rot. Bonds6

About 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide

3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 71825211) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID71825211
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC Name3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccccn1
InChIInChI=1S/C19H17BrN4O2/c20-15-6-4-14(5-7-15)17-8-9-19(26)24(23-17)12-10-18(25)22-13-16-3-1-2-11-21-16/h1-9,11H,10,12-13H2,(H,22,25)
InChIKeyWFBMOVIGUYLQJS-UHFFFAOYSA-N
XLogP2.77
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(3,5-difluorophenyl)methyl]propanamide
CID 71825213
2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 52899767
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613
3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 51366020
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 121051180
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 47035598
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
N-(1,3-benzodioxol-5-ylmethyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156989

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 71825211) is 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide is O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccccn1.
What is the InChIKey of 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is WFBMOVIGUYLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c20-15-6-4-14(5-7-15)17-8-9-19(26)24(23-17)12-10-18(25)22-13-16-3-1-2-11-21-16/h1-9,11H,10,12-13H2,(H,22,25).
What are the key properties of 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 413.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 71825211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).