N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C22H19F5N4O3 — CID 71456401

IUPACN-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1-c1cnc(OC(F)F)cn1)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C22H19F5N4O3/c23-21(24)34-19-13-29-17(12-31-19)16-4-2-1-3-14(16)7-9-28-20(32)15-5-6-18(30-11-15)33-10-8-22(25,26)27/h1-6,11-13,21H,7-10H2,(H,28,32)
InChIKeySJCKKJUEVXMIOE-UHFFFAOYSA-N
MW482.41 g/mol
LogP4.44
Rot. Bonds10

About N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 71456401) has the molecular formula C22H19F5N4O3 and a molecular weight of 482.41 g/mol. Its IUPAC name is N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID71456401
Molecular FormulaC22H19F5N4O3
Molecular Weight482.41 g/mol
Exact Mass482.14
IUPAC NameN-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1-c1cnc(OC(F)F)cn1)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C22H19F5N4O3/c23-21(24)34-19-13-29-17(12-31-19)16-4-2-1-3-14(16)7-9-28-20(32)15-5-6-18(30-11-15)33-10-8-22(25,26)27/h1-6,11-13,21H,7-10H2,(H,28,32)
InChIKeySJCKKJUEVXMIOE-UHFFFAOYSA-N
XLogP4.44
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 71456401) is N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is O=C(NCCc1ccccc1-c1cnc(OC(F)F)cn1)c1ccc(OCCC(F)(F)F)nc1.
What is the InChIKey of N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is SJCKKJUEVXMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N4O3/c23-21(24)34-19-13-29-17(12-31-19)16-4-2-1-3-14(16)7-9-28-20(32)15-5-6-18(30-11-15)33-10-8-22(25,26)27/h1-6,11-13,21H,7-10H2,(H,28,32).
What are the key properties of N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 482.41 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71456401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).