N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide

C23H19F2N5O2 — CID 135349289

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnn2)c1
InChIInChI=1S/C23H19F2N5O2/c24-16-4-6-22(18(25)13-16)32-17-7-10-30(11-8-17)21-5-3-15(14-26)12-20(21)28-23(31)19-2-1-9-27-29-19/h1-6,9,12-13,17H,7-8,10-11H2,(H,28,31)
InChIKeyMSYQIMZPJYWMIF-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.93
Rot. Bonds5

About N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide (PubChem CID 135349289) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide
PubChem CID135349289
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnn2)c1
InChIInChI=1S/C23H19F2N5O2/c24-16-4-6-22(18(25)13-16)32-17-7-10-30(11-8-17)21-5-3-15(14-26)12-20(21)28-23(31)19-2-1-9-27-29-19/h1-6,9,12-13,17H,7-8,10-11H2,(H,28,31)
InChIKeyMSYQIMZPJYWMIF-UHFFFAOYSA-N
XLogP3.93
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide (CID 135349289) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide is N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnn2)c1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide?
The InChIKey is MSYQIMZPJYWMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c24-16-4-6-22(18(25)13-16)32-17-7-10-30(11-8-17)21-5-3-15(14-26)12-20(21)28-23(31)19-2-1-9-27-29-19/h1-6,9,12-13,17H,7-8,10-11H2,(H,28,31).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 135349289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).