2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide

C13H21N5O2 — CID 56887383

IUPAC2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCC(C(N)=O)n1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C13H21N5O2/c1-10(13(14)20)18-12(19)8-11(9-15-18)17-5-3-4-16(2)6-7-17/h8-10H,3-7H2,1-2H3,(H2,14,20)
InChIKeyDEQDMPKOMSSBSD-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.57
Rot. Bonds3

About 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide

2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 56887383) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID56887383
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCC(C(N)=O)n1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C13H21N5O2/c1-10(13(14)20)18-12(19)8-11(9-15-18)17-5-3-4-16(2)6-7-17/h8-10H,3-7H2,1-2H3,(H2,14,20)
InChIKeyDEQDMPKOMSSBSD-UHFFFAOYSA-N
XLogP-0.57
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56910372
2-(2-azepan-1-yl-2-oxoethyl)-5-(dimethylamino)pyridazin-3(2H)-one
CID 72906941
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
5-(4-Methyl-1,4-diazepan-1-yl)-3-pyridazinol
CID 54775420
2-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
CID 56885798
2-(4-methyl-1,4-diazepan-1-yl)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70726818
5-(dimethylamino)-2-(1-methyl-2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3(2H)-one
CID 72847356
5-(4-methyl-1,4-diazepan-1-yl)-2-pent-2-yn-1-ylpyridazin-3(2H)-one
CID 72850109
N-(tert-butyl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1(6H)-yl)propanamide
CID 72876171
2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72908696

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide (CID 56887383) is 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide is CC(C(N)=O)n1ncc(N2CCCN(C)CC2)cc1=O.
What is the InChIKey of 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is DEQDMPKOMSSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10(13(14)20)18-12(19)8-11(9-15-18)17-5-3-4-16(2)6-7-17/h8-10H,3-7H2,1-2H3,(H2,14,20).
What are the key properties of 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide?
2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 279.34 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 56887383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).