N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C24H30N6O — CID 121103838

IUPACN-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCCN(c3ccc(-n4ccnc4C)nn3)C2)cc1
InChIInChI=1S/C24H30N6O/c1-3-4-6-19-8-10-21(11-9-19)26-24(31)20-7-5-15-29(17-20)22-12-13-23(28-27-22)30-16-14-25-18(30)2/h8-14,16,20H,3-7,15,17H2,1-2H3,(H,26,31)
InChIKeyPDKTZCNDNYBKJB-UHFFFAOYSA-N
MW418.55 g/mol
LogP4.17
Rot. Bonds7

About N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121103838) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID121103838
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCCN(c3ccc(-n4ccnc4C)nn3)C2)cc1
InChIInChI=1S/C24H30N6O/c1-3-4-6-19-8-10-21(11-9-19)26-24(31)20-7-5-15-29(17-20)22-12-13-23(28-27-22)30-16-14-25-18(30)2/h8-14,16,20H,3-7,15,17H2,1-2H3,(H,26,31)
InChIKeyPDKTZCNDNYBKJB-UHFFFAOYSA-N
XLogP4.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121103832
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
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 121103815
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103764
(3R)-N-(4-butylphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069805
(3S)-1-[6-[2-(4-butylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 95093169
methyl 2-[[1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121103795
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide
CID 121103941
(3S)-N-(4-butylphenyl)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085449
N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104023

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121103838) is N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is CCCCc1ccc(NC(=O)C2CCCN(c3ccc(-n4ccnc4C)nn3)C2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is PDKTZCNDNYBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-3-4-6-19-8-10-21(11-9-19)26-24(31)20-7-5-15-29(17-20)22-12-13-23(28-27-22)30-16-14-25-18(30)2/h8-14,16,20H,3-7,15,17H2,1-2H3,(H,26,31).
What are the key properties of N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121103838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).