3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide

C13H21BrN4O2 — CID 114436551

IUPAC3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cnn(CCC)c(=O)c1Br
InChIInChI=1S/C13H21BrN4O2/c1-3-6-16-11(19)5-7-15-10-9-17-18(8-4-2)13(20)12(10)14/h9,15H,3-8H2,1-2H3,(H,16,19)
InChIKeyRCMHUOMARJPOQK-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.74
Rot. Bonds8

About 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide

3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide (PubChem CID 114436551) has the molecular formula C13H21BrN4O2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide
PubChem CID114436551
Molecular FormulaC13H21BrN4O2
Molecular Weight345.24 g/mol
Exact Mass344.08
IUPAC Name3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cnn(CCC)c(=O)c1Br
InChIInChI=1S/C13H21BrN4O2/c1-3-6-16-11(19)5-7-15-10-9-17-18(8-4-2)13(20)12(10)14/h9,15H,3-8H2,1-2H3,(H,16,19)
InChIKeyRCMHUOMARJPOQK-UHFFFAOYSA-N
XLogP1.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436554
3-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436543
3-[(5-bromo-6-oxo-1-prop-2-ynylpyridazin-4-yl)amino]-N-propylpropanamide
CID 114436548
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 114442437
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide
CID 114441623
methyl 2-[5-bromo-6-oxo-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridazin-1-yl]acetate
CID 114433633
4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114434953
2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-propylacetamide
CID 114433638
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide (CID 114436551) is 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1cnn(CCC)c(=O)c1Br.
What is the InChIKey of 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide?
The InChIKey is RCMHUOMARJPOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2/c1-3-6-16-11(19)5-7-15-10-9-17-18(8-4-2)13(20)12(10)14/h9,15H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide?
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide has a molecular weight of 345.24 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 114436551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).