N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C23H29ClN6O — CID 78851941

IUPACN-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C23H29ClN6O/c1-2-3-4-13-29(16-18-5-7-20(24)8-6-18)23(31)19-11-14-28(15-12-19)22-10-9-21-26-25-17-30(21)27-22/h5-10,17,19H,2-4,11-16H2,1H3
InChIKeyUQDBZMGNJKCWBO-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.21
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 78851941) has the molecular formula C23H29ClN6O and a molecular weight of 440.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID78851941
Molecular FormulaC23H29ClN6O
Molecular Weight440.98 g/mol
Exact Mass440.21
IUPAC NameN-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C23H29ClN6O/c1-2-3-4-13-29(16-18-5-7-20(24)8-6-18)23(31)19-11-14-28(15-12-19)22-10-9-21-26-25-17-30(21)27-22/h5-10,17,19H,2-4,11-16H2,1H3
InChIKeyUQDBZMGNJKCWBO-UHFFFAOYSA-N
XLogP4.21
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 112827867
N-ethyl-N-(2-hydroxyethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78856198
N-(4-butylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439976
N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 38005375
N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide
CID 55689806
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 119653759
N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78846036
N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide
CID 119688890
N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35440107
1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 56511645
N-butyl-N-ethyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55478543
N-(6-methylheptan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46577267

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 78851941) is N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is CCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is UQDBZMGNJKCWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O/c1-2-3-4-13-29(16-18-5-7-20(24)8-6-18)23(31)19-11-14-28(15-12-19)22-10-9-21-26-25-17-30(21)27-22/h5-10,17,19H,2-4,11-16H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 78851941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).