N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide

C18H10ClFN6O2 — CID 11596401

IUPACN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1)c1ccncc1F
InChIInChI=1S/C18H10ClFN6O2/c19-13-2-1-10(18-26-24-9-28-18)5-12(13)15-7-23-16(8-22-15)25-17(27)11-3-4-21-6-14(11)20/h1-9H,(H,23,25,27)
InChIKeyJKSCIODTHZZWFR-UHFFFAOYSA-N
MW396.77 g/mol
LogP3.63
Rot. Bonds4

About N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide

N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 11596401) has the molecular formula C18H10ClFN6O2 and a molecular weight of 396.77 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID11596401
Molecular FormulaC18H10ClFN6O2
Molecular Weight396.77 g/mol
Exact Mass396.05
IUPAC NameN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1)c1ccncc1F
InChIInChI=1S/C18H10ClFN6O2/c19-13-2-1-10(18-26-24-9-28-18)5-12(13)15-7-23-16(8-22-15)25-17(27)11-3-4-21-6-14(11)20/h1-9H,(H,23,25,27)
InChIKeyJKSCIODTHZZWFR-UHFFFAOYSA-N
XLogP3.63
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide (CID 11596401) is N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide is O=C(Nc1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1)c1ccncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is JKSCIODTHZZWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN6O2/c19-13-2-1-10(18-26-24-9-28-18)5-12(13)15-7-23-16(8-22-15)25-17(27)11-3-4-21-6-14(11)20/h1-9H,(H,23,25,27).
What are the key properties of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 396.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 11596401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).