4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide

C22H24N8O2 — CID 71190609

IUPAC4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide
SMILESCCCCNC(=O)c1nnc2c(-c3cncc(C(=O)N4CCC4)c3)cccc2c1/N=N/N
InChIInChI=1S/C22H24N8O2/c1-2-3-8-25-21(31)20-19(28-29-23)17-7-4-6-16(18(17)26-27-20)14-11-15(13-24-12-14)22(32)30-9-5-10-30/h4,6-7,11-13H,2-3,5,8-10H2,1H3,(H,25,31)(H2,23,26,28)
InChIKeyXNZPZQXWDVSLTI-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.03
Rot. Bonds7

About 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide

4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide (PubChem CID 71190609) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide
PubChem CID71190609
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide
SMILESCCCCNC(=O)c1nnc2c(-c3cncc(C(=O)N4CCC4)c3)cccc2c1/N=N/N
InChIInChI=1S/C22H24N8O2/c1-2-3-8-25-21(31)20-19(28-29-23)17-7-4-6-16(18(17)26-27-20)14-11-15(13-24-12-14)22(32)30-9-5-10-30/h4,6-7,11-13H,2-3,5,8-10H2,1H3,(H,25,31)(H2,23,26,28)
InChIKeyXNZPZQXWDVSLTI-UHFFFAOYSA-N
XLogP3.03
TPSA138.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
CID 23630103
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971
[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 42845831
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide
CID 90732431
[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109224538
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54832046
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
N-[2-(3-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102553
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841477

Frequently Asked Questions

What is the IUPAC name of 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide?
The IUPAC name of 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide (CID 71190609) is 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide.
What is the SMILES notation for 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide?
The canonical SMILES for 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide is CCCCNC(=O)c1nnc2c(-c3cncc(C(=O)N4CCC4)c3)cccc2c1/N=N/N.
What is the InChIKey of 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide?
The InChIKey is XNZPZQXWDVSLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-2-3-8-25-21(31)20-19(28-29-23)17-7-4-6-16(18(17)26-27-20)14-11-15(13-24-12-14)22(32)30-9-5-10-30/h4,6-7,11-13H,2-3,5,8-10H2,1H3,(H,25,31)(H2,23,26,28).
What are the key properties of 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide?
4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide is sourced from PubChem (CID 71190609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).