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

C18H15N5O2 — CID 146127465

IUPAC2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(C#N)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H15N5O2/c1-12(11-21-17(24)14-7-8-20-15(9-14)10-19)18-22-16(23-25-18)13-5-3-2-4-6-13/h2-9,12H,11H2,1H3,(H,21,24)
InChIKeySUWFUHFJHAMZDN-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.54
Rot. Bonds5

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

2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide (PubChem CID 146127465) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
PubChem CID146127465
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(C#N)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H15N5O2/c1-12(11-21-17(24)14-7-8-20-15(9-14)10-19)18-22-16(23-25-18)13-5-3-2-4-6-13/h2-9,12H,11H2,1H3,(H,21,24)
InChIKeySUWFUHFJHAMZDN-UHFFFAOYSA-N
XLogP2.54
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123390
5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146152193
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 97074910
5-chloro-2-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123379
2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 166250559
3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 97098367
1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 97068058
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 167962986
2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
CID 115115941
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide (CID 146127465) is 2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide is CC(CNC(=O)c1ccnc(C#N)c1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide?
The InChIKey is SUWFUHFJHAMZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12(11-21-17(24)14-7-8-20-15(9-14)10-19)18-22-16(23-25-18)13-5-3-2-4-6-13/h2-9,12H,11H2,1H3,(H,21,24).
What are the key properties of 2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide?
2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 146127465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).