N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

C22H22FN5O — CID 30364948

IUPACN-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C22H22FN5O/c23-19-3-1-16(2-4-19)15-25-22(29)18-9-13-28(14-10-18)21-6-5-20(26-27-21)17-7-11-24-12-8-17/h1-8,11-12,18H,9-10,13-15H2,(H,25,29)
InChIKeyOUVRJTNIDKLZDB-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.21
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30364948) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30364948
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C22H22FN5O/c23-19-3-1-16(2-4-19)15-25-22(29)18-9-13-28(14-10-18)21-6-5-20(26-27-21)17-7-11-24-12-8-17/h1-8,11-12,18H,9-10,13-15H2,(H,25,29)
InChIKeyOUVRJTNIDKLZDB-UHFFFAOYSA-N
XLogP3.21
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
N-[(4-fluorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363820
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 30364330
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691200
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691180
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30364948) is N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is OUVRJTNIDKLZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-19-3-1-16(2-4-19)15-25-22(29)18-9-13-28(14-10-18)21-6-5-20(26-27-21)17-7-11-24-12-8-17/h1-8,11-12,18H,9-10,13-15H2,(H,25,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30364948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).