N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide

C17H18F2N4O2 — CID 71778564

IUPACN-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H18F2N4O2/c18-17(19)25-13-6-4-5-12(11-13)20-16(24)14-7-8-15(22-21-14)23-9-2-1-3-10-23/h4-8,11,17H,1-3,9-10H2,(H,20,24)
InChIKeyPHCDDTRSWSLGTL-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide

N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 71778564) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID71778564
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H18F2N4O2/c18-17(19)25-13-6-4-5-12(11-13)20-16(24)14-7-8-15(22-21-14)23-9-2-1-3-10-23/h4-8,11,17H,1-3,9-10H2,(H,20,24)
InChIKeyPHCDDTRSWSLGTL-UHFFFAOYSA-N
XLogP3.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide (CID 71778564) is N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is PHCDDTRSWSLGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c18-17(19)25-13-6-4-5-12(11-13)20-16(24)14-7-8-15(22-21-14)23-9-2-1-3-10-23/h4-8,11,17H,1-3,9-10H2,(H,20,24).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).