N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

C19H21FN4O — CID 30866805

IUPACN-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C19H21FN4O/c20-15-3-1-13(2-4-15)17-7-8-18(23-22-17)24-11-9-14(10-12-24)19(25)21-16-5-6-16/h1-4,7-8,14,16H,5-6,9-12H2,(H,21,25)
InChIKeyHIQJLWGEVOKRDZ-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.78
Rot. Bonds4

About N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30866805) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30866805
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C19H21FN4O/c20-15-3-1-13(2-4-15)17-7-8-18(23-22-17)24-11-9-14(10-12-24)19(25)21-16-5-6-16/h1-4,7-8,14,16H,5-6,9-12H2,(H,21,25)
InChIKeyHIQJLWGEVOKRDZ-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30866805) is N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is HIQJLWGEVOKRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-15-3-1-13(2-4-15)17-7-8-18(23-22-17)24-11-9-14(10-12-24)19(25)21-16-5-6-16/h1-4,7-8,14,16H,5-6,9-12H2,(H,21,25).
What are the key properties of N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30866805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).