1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide

C18H19FN4O3 — CID 27376603

IUPAC1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H19FN4O3/c19-14-3-1-12(2-4-14)11-23-16(24)6-5-15(21-23)18(26)22-9-7-13(8-10-22)17(20)25/h1-6,13H,7-11H2,(H2,20,25)
InChIKeyUSVKTWNEMYUADU-UHFFFAOYSA-N
MW358.37 g/mol
LogP0.77
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide

1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 27376603) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide
PubChem CID27376603
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H19FN4O3/c19-14-3-1-12(2-4-14)11-23-16(24)6-5-15(21-23)18(26)22-9-7-13(8-10-22)17(20)25/h1-6,13H,7-11H2,(H2,20,25)
InChIKeyUSVKTWNEMYUADU-UHFFFAOYSA-N
XLogP0.77
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide (CID 27376603) is 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is USVKTWNEMYUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-14-3-1-12(2-4-14)11-23-16(24)6-5-15(21-23)18(26)22-9-7-13(8-10-22)17(20)25/h1-6,13H,7-11H2,(H2,20,25).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 27376603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).