N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

C18H20F2N4O — CID 121118700

IUPACN-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCc3c(F)cccc3F)C2)nn1
InChIInChI=1S/C18H20F2N4O/c1-12-7-8-17(23-22-12)24-9-3-4-13(11-24)18(25)21-10-14-15(19)5-2-6-16(14)20/h2,5-8,13H,3-4,9-11H2,1H3,(H,21,25)
InChIKeyWDYXZUMCXNQUTP-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.60
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121118700) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121118700
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCc3c(F)cccc3F)C2)nn1
InChIInChI=1S/C18H20F2N4O/c1-12-7-8-17(23-22-12)24-9-3-4-13(11-24)18(25)21-10-14-15(19)5-2-6-16(14)20/h2,5-8,13H,3-4,9-11H2,1H3,(H,21,25)
InChIKeyWDYXZUMCXNQUTP-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118477
1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 121118673
1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 121118591
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118410
(3R)-N-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118688
N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600867
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118608
N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118516

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (CID 121118700) is N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)NCc3c(F)cccc3F)C2)nn1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is WDYXZUMCXNQUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-12-7-8-17(23-22-12)24-9-3-4-13(11-24)18(25)21-10-14-15(19)5-2-6-16(14)20/h2,5-8,13H,3-4,9-11H2,1H3,(H,21,25).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121118700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).