6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one

C17H19N5O3 — CID 167843423

IUPAC6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCN(C(=O)c3ccccn3)CC2)n[nH]1
InChIInChI=1S/C17H19N5O3/c1-12-11-14(23)15(20-19-12)17(25)22-8-4-7-21(9-10-22)16(24)13-5-2-3-6-18-13/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23)
InChIKeyFPIDYGXFRHFUDU-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.46
Rot. Bonds2

About 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one

6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one (PubChem CID 167843423) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one.

Molecular Properties

Compound Name6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one
PubChem CID167843423
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCN(C(=O)c3ccccn3)CC2)n[nH]1
InChIInChI=1S/C17H19N5O3/c1-12-11-14(23)15(20-19-12)17(25)22-8-4-7-21(9-10-22)16(24)13-5-2-3-6-18-13/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23)
InChIKeyFPIDYGXFRHFUDU-UHFFFAOYSA-N
XLogP0.46
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one with MolForge

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Related Compounds

[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814097
pyridin-2-yl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816030
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 63394596
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
2-(3-methylphenoxy)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809812
N-tert-butyl-4-(pyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813237
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 110805343
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110808437
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one?
The IUPAC name of 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one (CID 167843423) is 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one.
What is the SMILES notation for 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one?
The canonical SMILES for 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one is Cc1cc(=O)c(C(=O)N2CCCN(C(=O)c3ccccn3)CC2)n[nH]1.
What is the InChIKey of 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one?
The InChIKey is FPIDYGXFRHFUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-12-11-14(23)15(20-19-12)17(25)22-8-4-7-21(9-10-22)16(24)13-5-2-3-6-18-13/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23).
What are the key properties of 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one?
6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one has a molecular weight of 341.37 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one is sourced from PubChem (CID 167843423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).