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

C12H13N5O2 — CID 102703255

IUPACN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1ccncc1
InChIInChI=1S/C12H13N5O2/c18-10(8-3-6-13-7-4-8)15-12-17-16-11(19-12)9-2-1-5-14-9/h3-4,6-7,9,14H,1-2,5H2,(H,15,17,18)
InChIKeyPDPPOBPJEGSGTR-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.14
Rot. Bonds3

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

N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 102703255) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
PubChem CID102703255
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1ccncc1
InChIInChI=1S/C12H13N5O2/c18-10(8-3-6-13-7-4-8)15-12-17-16-11(19-12)9-2-1-5-14-9/h3-4,6-7,9,14H,1-2,5H2,(H,15,17,18)
InChIKeyPDPPOBPJEGSGTR-UHFFFAOYSA-N
XLogP1.14
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (CID 102703255) is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nnc(C2CCCN2)o1)c1ccncc1.
What is the InChIKey of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is PDPPOBPJEGSGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c18-10(8-3-6-13-7-4-8)15-12-17-16-11(19-12)9-2-1-5-14-9/h3-4,6-7,9,14H,1-2,5H2,(H,15,17,18).
What are the key properties of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 102703255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).