N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide

C18H12N4O3 — CID 146494151

IUPACN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccncc1
InChIInChI=1S/C18H12N4O3/c23-16(12-6-8-19-9-7-12)20-14-4-1-3-13(11-14)17-21-22-18(25-17)15-5-2-10-24-15/h1-11H,(H,20,23)
InChIKeyPKWSCTFNSRLPPN-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.64
Rot. Bonds4

About N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide (PubChem CID 146494151) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
PubChem CID146494151
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccncc1
InChIInChI=1S/C18H12N4O3/c23-16(12-6-8-19-9-7-12)20-14-4-1-3-13(11-14)17-21-22-18(25-17)15-5-2-10-24-15/h1-11H,(H,20,23)
InChIKeyPKWSCTFNSRLPPN-UHFFFAOYSA-N
XLogP3.64
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide (CID 146494151) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccncc1.
What is the InChIKey of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is PKWSCTFNSRLPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c23-16(12-6-8-19-9-7-12)20-14-4-1-3-13(11-14)17-21-22-18(25-17)15-5-2-10-24-15/h1-11H,(H,20,23).
What are the key properties of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide?
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 146494151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).