N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

C22H20F2N4O — CID 53025334

IUPACN-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C22H20F2N4O/c23-17-4-1-3-16(13-17)20-7-8-21(27-26-20)28-11-9-15(10-12-28)22(29)25-19-6-2-5-18(24)14-19/h1-8,13-15H,9-12H2,(H,25,29)
InChIKeyCVUQCIDPAUPKIV-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.28
Rot. Bonds4

About N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53025334) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53025334
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C22H20F2N4O/c23-17-4-1-3-16(13-17)20-7-8-21(27-26-20)28-11-9-15(10-12-28)22(29)25-19-6-2-5-18(24)14-19/h1-8,13-15H,9-12H2,(H,25,29)
InChIKeyCVUQCIDPAUPKIV-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025350
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
N-(3,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365350
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025322
N-(3-acetamidophenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361652
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365439
1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide
CID 53025319
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 121071923
N-(4-methylsulfanylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121072060
[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46292464
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 53025334) is N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is CVUQCIDPAUPKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-17-4-1-3-16(13-17)20-7-8-21(27-26-20)28-11-9-15(10-12-28)22(29)25-19-6-2-5-18(24)14-19/h1-8,13-15H,9-12H2,(H,25,29).
What are the key properties of N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53025334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).