N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide

C11H8F2N4O2 — CID 105380623

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccnc(F)c1F
InChIInChI=1S/C11H8F2N4O2/c12-7-6(3-4-14-8(7)13)9(18)15-11-17-16-10(19-11)5-1-2-5/h3-5H,1-2H2,(H,15,17,18)
InChIKeyLWLQNXAECJMIRV-UHFFFAOYSA-N
MW266.21 g/mol
LogP1.87
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380623) has the molecular formula C11H8F2N4O2 and a molecular weight of 266.21 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105380623
Molecular FormulaC11H8F2N4O2
Molecular Weight266.21 g/mol
Exact Mass266.06
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccnc(F)c1F
InChIInChI=1S/C11H8F2N4O2/c12-7-6(3-4-14-8(7)13)9(18)15-11-17-16-10(19-11)5-1-2-5/h3-5H,1-2H2,(H,15,17,18)
InChIKeyLWLQNXAECJMIRV-UHFFFAOYSA-N
XLogP1.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 3463671
2-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3463675
4-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5080054
2-(4-fluorophenyl)-N-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 11609085
N-ethyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 10511869
N-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 145960005
N-propyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 145961005
3-fluoro-N-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4454091
N-[5-(Pyridin-4-YL)-1,3,4-oxadiazol-2-YL]cyclopropanecarboxamide
CID 3463667
2,6-difluoro-N-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4128737
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide
CID 155688305
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-fluoropyridine-4-carboxamide
CID 155688337

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide (CID 105380623) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide is O=C(Nc1nnc(C2CC2)o1)c1ccnc(F)c1F.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is LWLQNXAECJMIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O2/c12-7-6(3-4-14-8(7)13)9(18)15-11-17-16-10(19-11)5-1-2-5/h3-5H,1-2H2,(H,15,17,18).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 266.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).