N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C17H19FN4O2 — CID 53202036

IUPACN-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H19FN4O2/c18-15-4-2-1-3-13(15)10-19-17(24)12-5-7-22(8-6-12)14-9-16(23)21-20-11-14/h1-4,9,11-12H,5-8,10H2,(H,19,24)(H,21,23)
InChIKeyMBKCCKKCFOGEIQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.44
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202036) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202036
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H19FN4O2/c18-15-4-2-1-3-13(15)10-19-17(24)12-5-7-22(8-6-12)14-9-16(23)21-20-11-14/h1-4,9,11-12H,5-8,10H2,(H,19,24)(H,21,23)
InChIKeyMBKCCKKCFOGEIQ-UHFFFAOYSA-N
XLogP1.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202036) is N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is O=C(NCc1ccccc1F)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is MBKCCKKCFOGEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-15-4-2-1-3-13(15)10-19-17(24)12-5-7-22(8-6-12)14-9-16(23)21-20-11-14/h1-4,9,11-12H,5-8,10H2,(H,19,24)(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).