2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide

C9H6F2N4O2 — CID 105381641

IUPAC2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2ccnc(F)c2F)o1
InChIInChI=1S/C9H6F2N4O2/c1-4-14-15-9(17-4)13-8(16)5-2-3-12-7(11)6(5)10/h2-3H,1H3,(H,13,15,16)
InChIKeySLIKBJGHMPYMJN-UHFFFAOYSA-N
MW240.17 g/mol
LogP1.30
Rot. Bonds2

About 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide

2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 105381641) has the molecular formula C9H6F2N4O2 and a molecular weight of 240.17 g/mol. Its IUPAC name is 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
PubChem CID105381641
Molecular FormulaC9H6F2N4O2
Molecular Weight240.17 g/mol
Exact Mass240.05
IUPAC Name2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2ccnc(F)c2F)o1
InChIInChI=1S/C9H6F2N4O2/c1-4-14-15-9(17-4)13-8(16)5-2-3-12-7(11)6(5)10/h2-3H,1H3,(H,13,15,16)
InChIKeySLIKBJGHMPYMJN-UHFFFAOYSA-N
XLogP1.30
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 51.30
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
N-(2H-tetrazol-5-yl)pyridine-4-carboxamide
CID 3466840
N-ethyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 10511869
N-pentyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 145954628
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
5-Propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 86782597

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (CID 105381641) is 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is Cc1nnc(NC(=O)c2ccnc(F)c2F)o1.
What is the InChIKey of 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is SLIKBJGHMPYMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4O2/c1-4-14-15-9(17-4)13-8(16)5-2-3-12-7(11)6(5)10/h2-3H,1H3,(H,13,15,16).
What are the key properties of 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 240.17 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105381641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).