6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C18H23N5O4 — CID 135105208

IUPAC6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccnc(C(=O)N2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c1
InChIInChI=1S/C18H23N5O4/c1-21-16(24)5-4-14(20-21)17(25)22-8-3-9-23(11-10-22)18(26)15-12-13(27-2)6-7-19-15/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyHYNVEYDWJSCCSV-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.37
Rot. Bonds3

About 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 135105208) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID135105208
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccnc(C(=O)N2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c1
InChIInChI=1S/C18H23N5O4/c1-21-16(24)5-4-14(20-21)17(25)22-8-3-9-23(11-10-22)18(26)15-12-13(27-2)6-7-19-15/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyHYNVEYDWJSCCSV-UHFFFAOYSA-N
XLogP0.37
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one with MolForge

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Related Compounds

6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 56798159
(4-methoxy-2-pyridinyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 75371941
(4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134706142
formic acid;(4-methoxy-2-pyridinyl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 154919272
6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 55557861
1-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepan-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 135109460
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146086584
(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164699891
(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 163305870

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 135105208) is 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is COc1ccnc(C(=O)N2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c1.
What is the InChIKey of 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is HYNVEYDWJSCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-21-16(24)5-4-14(20-21)17(25)22-8-3-9-23(11-10-22)18(26)15-12-13(27-2)6-7-19-15/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 373.41 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 135105208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).