N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C26H25N7O2 — CID 121103999

IUPACN-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCCN(c2ccc(-n3ccnc3-c3ccccc3)nn2)C1
InChIInChI=1S/C26H25N7O2/c27-24(34)20-10-4-5-11-21(20)29-26(35)19-9-6-15-32(17-19)22-12-13-23(31-30-22)33-16-14-28-25(33)18-7-2-1-3-8-18/h1-5,7-8,10-14,16,19H,6,9,15,17H2,(H2,27,34)(H,29,35)
InChIKeyBWXXTAKAYHMJEG-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.28
Rot. Bonds6

About N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121103999) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID121103999
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC NameN-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCCN(c2ccc(-n3ccnc3-c3ccccc3)nn2)C1
InChIInChI=1S/C26H25N7O2/c27-24(34)20-10-4-5-11-21(20)29-26(35)19-9-6-15-32(17-19)22-12-13-23(31-30-22)33-16-14-28-25(33)18-7-2-1-3-8-18/h1-5,7-8,10-14,16,19H,6,9,15,17H2,(H2,27,34)(H,29,35)
InChIKeyBWXXTAKAYHMJEG-UHFFFAOYSA-N
XLogP3.28
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 121104107
1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 121104134
N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104023
N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104008
methyl 2-[[1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121103795
N-(4-nitrophenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103992
N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104136
N-(2-cyano-4-nitrophenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104094
N-(2-phenylethyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104048
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104051
1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 121104135

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121103999) is N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is NC(=O)c1ccccc1NC(=O)C1CCCN(c2ccc(-n3ccnc3-c3ccccc3)nn2)C1.
What is the InChIKey of N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is BWXXTAKAYHMJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c27-24(34)20-10-4-5-11-21(20)29-26(35)19-9-6-15-32(17-19)22-12-13-23(31-30-22)33-16-14-28-25(33)18-7-2-1-3-8-18/h1-5,7-8,10-14,16,19H,6,9,15,17H2,(H2,27,34)(H,29,35).
What are the key properties of N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121103999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).