N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C18H19F2N7O — CID 24667522

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C18H19F2N7O/c1-25(11-13-2-3-14(19)10-15(13)20)18(28)12-6-8-26(9-7-12)17-5-4-16-21-23-24-27(16)22-17/h2-5,10,12H,6-9,11H2,1H3
InChIKeyOMJFOYQFZUIROA-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.67
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 24667522) has the molecular formula C18H19F2N7O and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID24667522
Molecular FormulaC18H19F2N7O
Molecular Weight387.39 g/mol
Exact Mass387.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C18H19F2N7O/c1-25(11-13-2-3-14(19)10-15(13)20)18(28)12-6-8-26(9-7-12)17-5-4-16-21-23-24-27(16)22-17/h2-5,10,12H,6-9,11H2,1H3
InChIKeyOMJFOYQFZUIROA-UHFFFAOYSA-N
XLogP1.67
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 24667522) is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is OMJFOYQFZUIROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-25(11-13-2-3-14(19)10-15(13)20)18(28)12-6-8-26(9-7-12)17-5-4-16-21-23-24-27(16)22-17/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 24667522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).