1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide

C23H22N6O3 — CID 121103913

IUPAC1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(N2CCCC(C(=O)Nc3cc4ccccc4oc3=O)C2)nn1
InChIInChI=1S/C23H22N6O3/c1-15-24-10-12-29(15)21-9-8-20(26-27-21)28-11-4-6-17(14-28)22(30)25-18-13-16-5-2-3-7-19(16)32-23(18)31/h2-3,5,7-10,12-13,17H,4,6,11,14H2,1H3,(H,25,30)
InChIKeyCLTGYTYKDUOVTQ-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.93
Rot. Bonds4

About 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide

1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide (PubChem CID 121103913) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide
PubChem CID121103913
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(N2CCCC(C(=O)Nc3cc4ccccc4oc3=O)C2)nn1
InChIInChI=1S/C23H22N6O3/c1-15-24-10-12-29(15)21-9-8-20(26-27-21)28-11-4-6-17(14-28)22(30)25-18-13-16-5-2-3-7-19(16)32-23(18)31/h2-3,5,7-10,12-13,17H,4,6,11,14H2,1H3,(H,25,30)
InChIKeyCLTGYTYKDUOVTQ-UHFFFAOYSA-N
XLogP2.93
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide
CID 121103941
methyl 2-[[1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121103795
N-(3-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103828
N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103793
N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104023
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121103832
1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 121104107
N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103999
N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103838
N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104008
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103764

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide (CID 121103913) is 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide is Cc1nccn1-c1ccc(N2CCCC(C(=O)Nc3cc4ccccc4oc3=O)C2)nn1.
What is the InChIKey of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide?
The InChIKey is CLTGYTYKDUOVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-15-24-10-12-29(15)21-9-8-20(26-27-21)28-11-4-6-17(14-28)22(30)25-18-13-16-5-2-3-7-19(16)32-23(18)31/h2-3,5,7-10,12-13,17H,4,6,11,14H2,1H3,(H,25,30).
What are the key properties of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide?
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121103913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).