5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

C23H23FN4O2 — CID 155550279

IUPAC5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCC(F)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23FN4O2/c24-18-9-12-28(13-10-18)20-6-7-22(30-16-17-4-2-1-3-5-17)21(14-20)23(29)27-19-8-11-25-26-15-19/h1-8,11,14-15,18H,9-10,12-13,16H2,(H,25,27,29)
InChIKeyQYNDNRURDHERQS-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.25
Rot. Bonds6

About 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155550279) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155550279
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCC(F)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23FN4O2/c24-18-9-12-28(13-10-18)20-6-7-22(30-16-17-4-2-1-3-5-17)21(14-20)23(29)27-19-8-11-25-26-15-19/h1-8,11,14-15,18H,9-10,12-13,16H2,(H,25,27,29)
InChIKeyQYNDNRURDHERQS-UHFFFAOYSA-N
XLogP4.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-4-trifluoromethyl-benzamide
CID 11503810
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
Benzamide, 3-methoxy-N-[3-(1-methyl-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-
CID 11604525
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-methoxybenzamide
CID 11698617
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076
N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
CID 46833077
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155550279) is 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cc(N2CCC(F)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is QYNDNRURDHERQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-18-9-12-28(13-10-18)20-6-7-22(30-16-17-4-2-1-3-5-17)21(14-20)23(29)27-19-8-11-25-26-15-19/h1-8,11,14-15,18H,9-10,12-13,16H2,(H,25,27,29).
What are the key properties of 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 406.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155550279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).