4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide

C18H19FN4O — CID 66883815

IUPAC4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnn2)CCC1=Cc1cccc(F)c1
InChIInChI=1S/C18H19FN4O/c1-13-12-23(18(24)21-17-6-3-8-20-22-17)9-7-15(13)10-14-4-2-5-16(19)11-14/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,21,22,24)
InChIKeyKUIUYHHLYVXIDZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.57
Rot. Bonds2

About 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide

4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide (PubChem CID 66883815) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
PubChem CID66883815
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnn2)CCC1=Cc1cccc(F)c1
InChIInChI=1S/C18H19FN4O/c1-13-12-23(18(24)21-17-6-3-8-20-22-17)9-7-15(13)10-14-4-2-5-16(19)11-14/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,21,22,24)
InChIKeyKUIUYHHLYVXIDZ-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide (CID 66883815) is 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2cccnn2)CCC1=Cc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
The InChIKey is KUIUYHHLYVXIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-13-12-23(18(24)21-17-6-3-8-20-22-17)9-7-15(13)10-14-4-2-5-16(19)11-14/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,21,22,24).
What are the key properties of 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66883815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).